N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide

C24H19NO3 — CID 108790210

IUPACN-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NCc4ccccc4)cc3)cc(=O)c2c1
InChIInChI=1S/C24H19NO3/c1-16-7-12-22-20(13-16)21(26)14-23(28-22)18-8-10-19(11-9-18)24(27)25-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,25,27)
InChIKeyBVYNAVMEVDCZIK-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.70
Rot. Bonds4

About N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide

N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide (PubChem CID 108790210) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide
PubChem CID108790210
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC NameN-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NCc4ccccc4)cc3)cc(=O)c2c1
InChIInChI=1S/C24H19NO3/c1-16-7-12-22-20(13-16)21(26)14-23(28-22)18-8-10-19(11-9-18)24(27)25-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,25,27)
InChIKeyBVYNAVMEVDCZIK-UHFFFAOYSA-N
XLogP4.70
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790197
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
11-[[4-(6-methyl-4-oxochromen-2-yl)benzoyl]amino]undecanoic acid
CID 108790270
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
4-(6-methyl-4-oxochromen-2-yl)-N-(1-phenylethyl)benzamide
CID 108790205
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790185

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide (CID 108790210) is N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)NCc4ccccc4)cc3)cc(=O)c2c1.
What is the InChIKey of N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The InChIKey is BVYNAVMEVDCZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-16-7-12-22-20(13-16)21(26)14-23(28-22)18-8-10-19(11-9-18)24(27)25-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,25,27).
What are the key properties of N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide?
N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide has a molecular weight of 369.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108790210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).