2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate

C110H120Cl6N20O14 — CID 158905118

IUPAC2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate
SMILESC.C.C.C.C.CCOC(=O)c1cnc(Cl)nc1.CCOC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1.CCOC(=O)c1cnc(Nc2ccccc2Cl)nc1.COC(=O)CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1.O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO.O=C(O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1
InChIInChI=1S/C25H27ClN4O3.C24H26ClN5O3.C19H16ClN3O2.C17H12ClN3O2.C13H12ClN3O2.C7H7ClN2O2.5CH4/c1-33-23(31)15-7-2-3-10-16-27-24(32)19-17-28-25(29-18-19)30(20-11-5-4-6-12-20)22-14-9-8-13-21(22)26;25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33;1-2-25-18(24)14-12-21-19(22-13-14)23(15-8-4-3-5-9-15)17-11-7-6-10-16(17)20;18-14-8-4-5-9-15(14)21(13-6-2-1-3-7-13)17-19-10-12(11-20-17)16(22)23;1-2-19-12(18)9-7-15-13(16-8-9)17-11-6-4-3-5-10(11)14;1-2-12-6(11)5-3-9-7(8)10-4-5;;;;;/h4-6,8-9,11-14,17-18H,2-3,7,10,15-16H2,1H3,(H,27,32);3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31);3-13H,2H2,1H3;1-11H,(H,22,23);3-8H,2H2,1H3,(H,15,16,17);3-4H,2H2,1H3;5*1H4
InChIKeyJFYHJHBLRNCIJA-UHFFFAOYSA-N
MW2159.01 g/mol
LogP26.85
Rot. Bonds37

About 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate

2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate (PubChem CID 158905118) has the molecular formula C110H120Cl6N20O14 and a molecular weight of 2159.01 g/mol. Its IUPAC name is 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate.

Molecular Properties

Compound Name2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate
PubChem CID158905118
Molecular FormulaC110H120Cl6N20O14
Molecular Weight2159.01 g/mol
Exact Mass2154.74
IUPAC Name2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate
SMILESC.C.C.C.C.CCOC(=O)c1cnc(Cl)nc1.CCOC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1.CCOC(=O)c1cnc(Nc2ccccc2Cl)nc1.COC(=O)CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1.O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO.O=C(O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1
InChIInChI=1S/C25H27ClN4O3.C24H26ClN5O3.C19H16ClN3O2.C17H12ClN3O2.C13H12ClN3O2.C7H7ClN2O2.5CH4/c1-33-23(31)15-7-2-3-10-16-27-24(32)19-17-28-25(29-18-19)30(20-11-5-4-6-12-20)22-14-9-8-13-21(22)26;25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33;1-2-25-18(24)14-12-21-19(22-13-14)23(15-8-4-3-5-9-15)17-11-7-6-10-16(17)20;18-14-8-4-5-9-15(14)21(13-6-2-1-3-7-13)17-19-10-12(11-20-17)16(22)23;1-2-19-12(18)9-7-15-13(16-8-9)17-11-6-4-3-5-10(11)14;1-2-12-6(11)5-3-9-7(8)10-4-5;;;;;/h4-6,8-9,11-14,17-18H,2-3,7,10,15-16H2,1H3,(H,27,32);3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31);3-13H,2H2,1H3;1-11H,(H,22,23);3-8H,2H2,1H3,(H,15,16,17);3-4H,2H2,1H3;5*1H4
InChIKeyJFYHJHBLRNCIJA-UHFFFAOYSA-N
XLogP26.85
TPSA429.70 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds37
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002159.01
LogP ≤ 526.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate with MolForge

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Related Compounds

2-[3-(aminomethyl)piperidin-1-yl]-1-phenylethanone;N-(3-aminophenyl)acetamide;2-chloro-4-[(1-phenacylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[(1-phenacylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-methyl-4-[(1-phenacylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide
CID 123450053
magnesium;potassium;aniline;3-[(2-anilino-5-methylpyrimidin-4-yl)amino]benzoic acid;3-[(2-anilino-5-methylpyrimidin-4-yl)amino]-N-methoxy-N-methylbenzamide;2,4-dichloro-5-methylpyrimidine;methane;N-methoxymethanamine;methyl 3-aminobenzoate;methyl 3-[(2-anilino-5-methylpyrimidin-4-yl)amino]benzoate;methyl 3-[(2-chloro-5-methylpyrimidin-4-yl)amino]benzoate;2-methylprop-1-ene;bromide;hydroxide
CID 157290126
methyl 7-aminoheptanoate;methyl 7-[[2-(N-phenylanilino)pyrimidine-5-carbonyl]amino]heptanoate;2-(N-phenylanilino)pyrimidine-5-carboxylic acid
CID 157376890
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide;[7-(methylamino)-7-oxoheptyl] 2-(N-(3-chlorophenyl)anilino)pyrimidine-5-carboxylate
CID 157569026
sodium;aniline;1-chloro-2-iodobenzene;2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethanol;ethyl 2-anilinopyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methyl 7-aminoheptanoate;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate;hydroxide
CID 157658311
methane;methyl 7-[[2-(N-(3-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate;methyl 7-[[2-(N-phenylanilino)pyrimidine-5-carbonyl]amino]heptanoate
CID 157668521
2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide;methane
CID 157686398
methane;methyl 7-aminoheptanoate;methyl 7-[[2-(N-phenylanilino)pyrimidine-5-carbonyl]amino]heptanoate;2-(N-phenylanilino)pyrimidine-5-carboxylic acid
CID 157728957
sodium;aniline;ethanol;ethyl 2-anilinopyrimidine-5-carboxylate;ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(N-phenylanilino)pyrimidine-5-carboxylate;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide;iodobenzene;methyl 7-aminoheptanoate;methyl 7-[[2-(N-phenylanilino)pyrimidine-5-carbonyl]amino]heptanoate;2-(N-phenylanilino)pyrimidine-5-carboxylic acid;hydroxide
CID 157759588
1-chloro-2-iodobenzene;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-anilinopyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate
CID 157793163
sodium;aniline;ethanol;ethyl 2-anilinopyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(N-phenylanilino)pyrimidine-5-carboxylate;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide;iodobenzene;methane;methyl 7-aminoheptanoate;methyl 7-[[2-(N-phenylanilino)pyrimidine-5-carbonyl]amino]heptanoate;2-(N-phenylanilino)pyrimidine-5-carboxylic acid;hydroxide
CID 157962113
disodium;aniline;ethanol;ethyl 2-anilinopyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(N-phenylanilino)pyrimidine-5-carboxylate;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide;hydroxylamine;iodobenzene;methyl 7-aminoheptanoate;methyl 7-[[2-(N-phenylanilino)pyrimidine-5-carbonyl]amino]heptanoate;2-(N-phenylanilino)pyrimidine-5-carboxylic acid;dihydroxide
CID 158397264

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate?
The IUPAC name of 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate (CID 158905118) is 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate.
What is the SMILES notation for 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate?
The canonical SMILES for 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate is C.C.C.C.C.CCOC(=O)c1cnc(Cl)nc1.CCOC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1.CCOC(=O)c1cnc(Nc2ccccc2Cl)nc1.COC(=O)CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1.O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO.O=C(O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1.
What is the InChIKey of 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate?
The InChIKey is JFYHJHBLRNCIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O3.C24H26ClN5O3.C19H16ClN3O2.C17H12ClN3O2.C13H12ClN3O2.C7H7ClN2O2.5CH4/c1-33-23(31)15-7-2-3-10-16-27-24(32)19-17-28-25(29-18-19)30(20-11-5-4-6-12-20)22-14-9-8-13-21(22)26;25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33;1-2-25-18(24)14-12-21-19(22-13-14)23(15-8-4-3-5-9-15)17-11-7-6-10-16(17)20;18-14-8-4-5-9-15(14)21(13-6-2-1-3-7-13)17-19-10-12(11-20-17)16(22)23;1-2-19-12(18)9-7-15-13(16-8-9)17-11-6-4-3-5-10(11)14;1-2-12-6(11)5-3-9-7(8)10-4-5;;;;;/h4-6,8-9,11-14,17-18H,2-3,7,10,15-16H2,1H3,(H,27,32);3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31);3-13H,2H2,1H3;1-11H,(H,22,23);3-8H,2H2,1H3,(H,15,16,17);3-4H,2H2,1H3;5*1H4.
What are the key properties of 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate?
2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate has a molecular weight of 2159.01 g/mol, XLogP of 26.85, 37 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylic acid;ethyl 2-(2-chloroanilino)pyrimidine-5-carboxylate;ethyl 2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;methane;methyl 7-[[2-(N-(2-chlorophenyl)anilino)pyrimidine-5-carbonyl]amino]heptanoate is sourced from PubChem (CID 158905118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).