2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide

C86H75Cl5N14O7S — CID 158718984

IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CN(C)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CN2CCOCC2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CNc2ncccn2)cc1
InChIInChI=1S/C23H18ClN5O.C22H21ClN4O2.C21H19Cl2N3O.C20H17ClN2O3S/c24-20-10-9-18(14-19(20)21-4-1-2-11-25-21)29-22(30)17-7-5-16(6-8-17)15-28-23-26-12-3-13-27-23;23-20-7-6-17(13-19(20)21-3-1-2-8-24-21)26-22(28)16-4-5-18(25-14-16)15-27-9-11-29-12-10-27;1-26(2)13-14-6-8-16(19(23)11-14)21(27)25-15-7-9-18(22)17(12-15)20-5-3-4-10-24-20;1-2-27(25,26)16-9-6-14(7-10-16)20(24)23-15-8-11-18(21)17(13-15)19-5-3-4-12-22-19/h1-14H,15H2,(H,29,30)(H,26,27,28);1-8,13-14H,9-12,15H2,(H,26,28);3-12H,13H2,1-2H3,(H,25,27);3-13H,2H2,1H3,(H,23,24)
InChIKeyIJRBPMDAZZXQPZ-UHFFFAOYSA-N
MW1625.97 g/mol
LogP18.76
Rot. Bonds21

About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide (PubChem CID 158718984) has the molecular formula C86H75Cl5N14O7S and a molecular weight of 1625.97 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide
PubChem CID158718984
Molecular FormulaC86H75Cl5N14O7S
Molecular Weight1625.97 g/mol
Exact Mass1622.41
IUPAC Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CN(C)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CN2CCOCC2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CNc2ncccn2)cc1
InChIInChI=1S/C23H18ClN5O.C22H21ClN4O2.C21H19Cl2N3O.C20H17ClN2O3S/c24-20-10-9-18(14-19(20)21-4-1-2-11-25-21)29-22(30)17-7-5-16(6-8-17)15-28-23-26-12-3-13-27-23;23-20-7-6-17(13-19(20)21-3-1-2-8-24-21)26-22(28)16-4-5-18(25-14-16)15-27-9-11-29-12-10-27;1-26(2)13-14-6-8-16(19(23)11-14)21(27)25-15-7-9-18(22)17(12-15)20-5-3-4-10-24-20;1-2-27(25,26)16-9-6-14(7-10-16)20(24)23-15-8-11-18(21)17(13-15)19-5-3-4-12-22-19/h1-14H,15H2,(H,29,30)(H,26,27,28);1-8,13-14H,9-12,15H2,(H,26,28);3-12H,13H2,1-2H3,(H,25,27);3-13H,2H2,1H3,(H,23,24)
InChIKeyIJRBPMDAZZXQPZ-UHFFFAOYSA-N
XLogP18.76
TPSA268.51 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001625.97
LogP ≤ 518.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide with MolForge

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Related Compounds

6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 159509894
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide
CID 159639738
6-anilino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 159716684
4-acetamido-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;4-acetamido-N-(4-chloro-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160031814
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 160351848
2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 160600291
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide
CID 161033662
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;tert-butyl N-[6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-3-pyridinyl]carbamate;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine
CID 161373706
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 162000054
4-[(4-acetylpiperazin-1-yl)methyl]-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 157221457
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide;1-[4-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone;4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone
CID 157285947
2-chloro-N-(4-chloro-3-phenacylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-[4-chloro-3-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 157301474

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide (CID 158718984) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CN(C)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CN2CCOCC2)nc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(CNc2ncccn2)cc1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide?
The InChIKey is IJRBPMDAZZXQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O.C22H21ClN4O2.C21H19Cl2N3O.C20H17ClN2O3S/c24-20-10-9-18(14-19(20)21-4-1-2-11-25-21)29-22(30)17-7-5-16(6-8-17)15-28-23-26-12-3-13-27-23;23-20-7-6-17(13-19(20)21-3-1-2-8-24-21)26-22(28)16-4-5-18(25-14-16)15-27-9-11-29-12-10-27;1-26(2)13-14-6-8-16(19(23)11-14)21(27)25-15-7-9-18(22)17(12-15)20-5-3-4-10-24-20;1-2-27(25,26)16-9-6-14(7-10-16)20(24)23-15-8-11-18(21)17(13-15)19-5-3-4-12-22-19/h1-14H,15H2,(H,29,30)(H,26,27,28);1-8,13-14H,9-12,15H2,(H,26,28);3-12H,13H2,1-2H3,(H,25,27);3-13H,2H2,1H3,(H,23,24).
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide has a molecular weight of 1625.97 g/mol, XLogP of 18.76, 21 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(pyrimidin-2-ylamino)methyl]benzamide is sourced from PubChem (CID 158718984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).