4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide

C21H18ClN3O2 — CID 1020098

IUPAC4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccccc3C)c2)c1
InChIInChI=1S/C21H18ClN3O2/c1-13-9-10-23-19(11-13)25-20(26)15-7-8-17(22)18(12-15)24-21(27)16-6-4-3-5-14(16)2/h3-12H,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyLQBPEGWXWZMFQR-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.86
Rot. Bonds4

About 4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide

4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 1020098) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID1020098
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccccc3C)c2)c1
InChIInChI=1S/C21H18ClN3O2/c1-13-9-10-23-19(11-13)25-20(26)15-7-8-17(22)18(12-15)24-21(27)16-6-4-3-5-14(16)2/h3-12H,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyLQBPEGWXWZMFQR-UHFFFAOYSA-N
XLogP4.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[2-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1339954
2-[(4-methoxybenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1341629
N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide
CID 35344934
2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide
CID 35028557
2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60794828
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
N-(2-chloro-5-methylphenyl)-2-hydroxybenzamide
CID 103769569

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide (CID 1020098) is 4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccccc3C)c2)c1.
What is the InChIKey of 4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is LQBPEGWXWZMFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-9-10-23-19(11-13)25-20(26)15-7-8-17(22)18(12-15)24-21(27)16-6-4-3-5-14(16)2/h3-12H,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of 4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide?
4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 379.85 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-methylbenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 1020098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).