4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide

C26H21ClN4O2 — CID 44526071

IUPAC4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide
SMILESCc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1-c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C26H21ClN4O2/c1-17-5-10-23(31-26(33)30-22-4-2-3-20(27)15-22)16-24(17)18-6-8-19(9-7-18)25(32)29-21-11-13-28-14-12-21/h2-16H,1H3,(H,28,29,32)(H2,30,31,33)
InChIKeyINTOYLVBTQWNAB-UHFFFAOYSA-N
MW456.93 g/mol
LogP6.61
Rot. Bonds5

About 4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide

4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide (PubChem CID 44526071) has the molecular formula C26H21ClN4O2 and a molecular weight of 456.93 g/mol. Its IUPAC name is 4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide
PubChem CID44526071
Molecular FormulaC26H21ClN4O2
Molecular Weight456.93 g/mol
Exact Mass456.14
IUPAC Name4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide
SMILESCc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1-c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C26H21ClN4O2/c1-17-5-10-23(31-26(33)30-22-4-2-3-20(27)15-22)16-24(17)18-6-8-19(9-7-18)25(32)29-21-11-13-28-14-12-21/h2-16H,1H3,(H,28,29,32)(H2,30,31,33)
InChIKeyINTOYLVBTQWNAB-UHFFFAOYSA-N
XLogP6.61
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.93
LogP ≤ 56.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide (CID 44526071) is 4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide is Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1-c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide?
The InChIKey is INTOYLVBTQWNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O2/c1-17-5-10-23(31-26(33)30-22-4-2-3-20(27)15-22)16-24(17)18-6-8-19(9-7-18)25(32)29-21-11-13-28-14-12-21/h2-16H,1H3,(H,28,29,32)(H2,30,31,33).
What are the key properties of 4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide?
4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide has a molecular weight of 456.93 g/mol, XLogP of 6.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3-chlorophenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 44526071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).