5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide

C20H16ClN3O3 — CID 991453

IUPAC5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C20H16ClN3O3/c1-27-16-5-2-13(3-6-16)19(25)24-18-7-4-14(21)12-17(18)20(26)23-15-8-10-22-11-9-15/h2-12H,1H3,(H,24,25)(H,22,23,26)
InChIKeyLDFWEYVSIXIDAD-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.25
Rot. Bonds5

About 5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide

5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide (PubChem CID 991453) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide
PubChem CID991453
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C20H16ClN3O3/c1-27-16-5-2-13(3-6-16)19(25)24-18-7-4-14(21)12-17(18)20(26)23-15-8-10-22-11-9-15/h2-12H,1H3,(H,24,25)(H,22,23,26)
InChIKeyLDFWEYVSIXIDAD-UHFFFAOYSA-N
XLogP4.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide?
The IUPAC name of 5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide (CID 991453) is 5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide is COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide?
The InChIKey is LDFWEYVSIXIDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-27-16-5-2-13(3-6-16)19(25)24-18-7-4-14(21)12-17(18)20(26)23-15-8-10-22-11-9-15/h2-12H,1H3,(H,24,25)(H,22,23,26).
What are the key properties of 5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide?
5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide has a molecular weight of 381.82 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-methoxybenzoyl)amino]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 991453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).