2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide

C106H87Cl4N13O8 — CID 158334056

IUPAC2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide
SMILESCN(C)Cc1ccccc1-c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\C)c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\C)c1ccccc1-c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\N)c1ccccc1-c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C29H26ClN3O2.C28H22ClN3O2.C27H21ClN4O2.C22H18ClN3O2/c1-33(2)19-23-8-4-5-9-25(23)20-11-13-21(14-12-20)27(34)17-22-7-3-6-10-26(22)29(35)32-28-16-15-24(30)18-31-28;1-18(30)23-7-4-5-8-24(23)19-10-12-20(13-11-19)26(33)16-21-6-2-3-9-25(21)28(34)32-27-15-14-22(29)17-31-27;28-20-13-14-25(31-16-20)32-27(34)22-7-2-1-5-19(22)15-24(33)18-11-9-17(10-12-18)21-6-3-4-8-23(21)26(29)30;1-14(24)15-6-8-16(9-7-15)20(27)12-17-4-2-3-5-19(17)22(28)26-21-11-10-18(23)13-25-21/h3-16,18H,17,19H2,1-2H3,(H,31,32,35);2-15,17,30H,16H2,1H3,(H,31,32,34);1-14,16H,15H2,(H3,29,30)(H,31,32,34);2-11,13,24H,12H2,1H3,(H,25,26,28)/b;30-18+;;24-14+
InChIKeyGQJCRIUWSIZUTA-CAWCNEPESA-N
MW1812.76 g/mol
LogP22.77
Rot. Bonds28

About 2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide

2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide (PubChem CID 158334056) has the molecular formula C106H87Cl4N13O8 and a molecular weight of 1812.76 g/mol. Its IUPAC name is 2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide
PubChem CID158334056
Molecular FormulaC106H87Cl4N13O8
Molecular Weight1812.76 g/mol
Exact Mass1809.56
IUPAC Name2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide
SMILESCN(C)Cc1ccccc1-c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\C)c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\C)c1ccccc1-c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\N)c1ccccc1-c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C29H26ClN3O2.C28H22ClN3O2.C27H21ClN4O2.C22H18ClN3O2/c1-33(2)19-23-8-4-5-9-25(23)20-11-13-21(14-12-20)27(34)17-22-7-3-6-10-26(22)29(35)32-28-16-15-24(30)18-31-28;1-18(30)23-7-4-5-8-24(23)19-10-12-20(13-11-19)26(33)16-21-6-2-3-9-25(21)28(34)32-27-15-14-22(29)17-31-27;28-20-13-14-25(31-16-20)32-27(34)22-7-2-1-5-19(22)15-24(33)18-11-9-17(10-12-18)21-6-3-4-8-23(21)26(29)30;1-14(24)15-6-8-16(9-7-15)20(27)12-17-4-2-3-5-19(17)22(28)26-21-11-10-18(23)13-25-21/h3-16,18H,17,19H2,1-2H3,(H,31,32,35);2-15,17,30H,16H2,1H3,(H,31,32,34);1-14,16H,15H2,(H3,29,30)(H,31,32,34);2-11,13,24H,12H2,1H3,(H,25,26,28)/b;30-18+;;24-14+
InChIKeyGQJCRIUWSIZUTA-CAWCNEPESA-N
XLogP22.77
TPSA337.05 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001812.76
LogP ≤ 522.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide with MolForge

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Related Compounds

2-[1-(4-chlorophenyl)-3-naphthalen-2-yl-3-oxopropyl]-N,N'-dipyridin-2-ylpropanediamide
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N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide
CID 59585412
N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]benzamide
CID 59585418
N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide
CID 59585446
N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 59585476
N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]-5-methylbenzamide
CID 59585480
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]-2-oxoethyl]benzamide
CID 59585484
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide
CID 147651895
N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide
CID 157230607
N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-4,5-difluorobenzamide
CID 157230608
N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 157272240

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide (CID 158334056) is 2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide is CN(C)Cc1ccccc1-c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\C)c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\C)c1ccccc1-c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\N)c1ccccc1-c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide?
The InChIKey is GQJCRIUWSIZUTA-CAWCNEPESA-N. The full InChI is InChI=1S/C29H26ClN3O2.C28H22ClN3O2.C27H21ClN4O2.C22H18ClN3O2/c1-33(2)19-23-8-4-5-9-25(23)20-11-13-21(14-12-20)27(34)17-22-7-3-6-10-26(22)29(35)32-28-16-15-24(30)18-31-28;1-18(30)23-7-4-5-8-24(23)19-10-12-20(13-11-19)26(33)16-21-6-2-3-9-25(21)28(34)32-27-15-14-22(29)17-31-27;28-20-13-14-25(31-16-20)32-27(34)22-7-2-1-5-19(22)15-24(33)18-11-9-17(10-12-18)21-6-3-4-8-23(21)26(29)30;1-14(24)15-6-8-16(9-7-15)20(27)12-17-4-2-3-5-19(17)22(28)26-21-11-10-18(23)13-25-21/h3-16,18H,17,19H2,1-2H3,(H,31,32,35);2-15,17,30H,16H2,1H3,(H,31,32,34);1-14,16H,15H2,(H3,29,30)(H,31,32,34);2-11,13,24H,12H2,1H3,(H,25,26,28)/b;30-18+;;24-14+.
What are the key properties of 2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide?
2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 1812.76 g/mol, XLogP of 22.77, 28 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-carbamimidoylphenyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(2-ethanimidoylphenyl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 158334056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).