4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide

C26H20ClN3O2 — CID 44526070

IUPAC4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C26H20ClN3O2/c1-17-2-11-23(30-26(32)20-7-9-21(27)10-8-20)16-24(17)18-3-5-19(6-4-18)25(31)29-22-12-14-28-15-13-22/h2-16H,1H3,(H,30,32)(H,28,29,31)
InChIKeyHARPCQWFSQIZMP-UHFFFAOYSA-N
MW441.92 g/mol
LogP6.22
Rot. Bonds5

About 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide

4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide (PubChem CID 44526070) has the molecular formula C26H20ClN3O2 and a molecular weight of 441.92 g/mol. Its IUPAC name is 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide
PubChem CID44526070
Molecular FormulaC26H20ClN3O2
Molecular Weight441.92 g/mol
Exact Mass441.12
IUPAC Name4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C26H20ClN3O2/c1-17-2-11-23(30-26(32)20-7-9-21(27)10-8-20)16-24(17)18-3-5-19(6-4-18)25(31)29-22-12-14-28-15-13-22/h2-16H,1H3,(H,30,32)(H,28,29,31)
InChIKeyHARPCQWFSQIZMP-UHFFFAOYSA-N
XLogP6.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.92
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 18436066
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CID 52942245
CID 52942245
CID 86270887
CID 86270887
CID 127031252
CID 127031252
CID 138543849
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CID 885964
CID 885964
CID 44571915
CID 44571915
CID 52945923
CID 52945923

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide (CID 44526070) is 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide is Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide?
The InChIKey is HARPCQWFSQIZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O2/c1-17-2-11-23(30-26(32)20-7-9-21(27)10-8-20)16-24(17)18-3-5-19(6-4-18)25(31)29-22-12-14-28-15-13-22/h2-16H,1H3,(H,30,32)(H,28,29,31).
What are the key properties of 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide?
4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide has a molecular weight of 441.92 g/mol, XLogP of 6.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 44526070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).