N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide

C24H18ClNO3 — CID 108790197

IUPACN-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NCc4ccccc4Cl)cc3)cc(=O)c2c1
InChIInChI=1S/C24H18ClNO3/c1-15-6-11-22-19(12-15)21(27)13-23(29-22)16-7-9-17(10-8-16)24(28)26-14-18-4-2-3-5-20(18)25/h2-13H,14H2,1H3,(H,26,28)
InChIKeyNHBJZGRKQILMFP-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.35
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide

N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide (PubChem CID 108790197) has the molecular formula C24H18ClNO3 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
PubChem CID108790197
Molecular FormulaC24H18ClNO3
Molecular Weight403.87 g/mol
Exact Mass403.10
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NCc4ccccc4Cl)cc3)cc(=O)c2c1
InChIInChI=1S/C24H18ClNO3/c1-15-6-11-22-19(12-15)21(27)13-23(29-22)16-7-9-17(10-8-16)24(28)26-14-18-4-2-3-5-20(18)25/h2-13H,14H2,1H3,(H,26,28)
InChIKeyNHBJZGRKQILMFP-UHFFFAOYSA-N
XLogP5.35
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)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

N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790210
N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790263
N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803168
N-(3-chloro-2-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790173
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 139703911
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
11-[[4-(6-methyl-4-oxochromen-2-yl)benzoyl]amino]undecanoic acid
CID 108790270
4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide
CID 108790205
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 9384418

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide (CID 108790197) is N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)NCc4ccccc4Cl)cc3)cc(=O)c2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The InChIKey is NHBJZGRKQILMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO3/c1-15-6-11-22-19(12-15)21(27)13-23(29-22)16-7-9-17(10-8-16)24(28)26-14-18-4-2-3-5-20(18)25/h2-13H,14H2,1H3,(H,26,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide has a molecular weight of 403.87 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108790197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).