2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide

C24H21NO3 — CID 108757445

IUPAC2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESCc1ccc2c(c1)C(NC(=O)c1ccccc1C(=O)c1ccccc1)CCO2
InChIInChI=1S/C24H21NO3/c1-16-11-12-22-20(15-16)21(13-14-28-22)25-24(27)19-10-6-5-9-18(19)23(26)17-7-3-2-4-8-17/h2-12,15,21H,13-14H2,1H3,(H,25,27)
InChIKeyVCFKSHPFUOSKAO-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.48
Rot. Bonds4

About 2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide

2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide (PubChem CID 108757445) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide.

Molecular Properties

Compound Name2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
PubChem CID108757445
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
SMILESCc1ccc2c(c1)C(NC(=O)c1ccccc1C(=O)c1ccccc1)CCO2
InChIInChI=1S/C24H21NO3/c1-16-11-12-22-20(15-16)21(13-14-28-22)25-24(27)19-10-6-5-9-18(19)23(26)17-7-3-2-4-8-17/h2-12,15,21H,13-14H2,1H3,(H,25,27)
InChIKeyVCFKSHPFUOSKAO-UHFFFAOYSA-N
XLogP4.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-3-nitrobenzamide
CID 108734181
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 82174716
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate
CID 123908222
(E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
CID 108757471
2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108734133
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757448
2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108734108
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 46607391
1-cyclopropyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 119041646

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide?
The IUPAC name of 2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide (CID 108757445) is 2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide.
What is the SMILES notation for 2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide?
The canonical SMILES for 2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide is Cc1ccc2c(c1)C(NC(=O)c1ccccc1C(=O)c1ccccc1)CCO2.
What is the InChIKey of 2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide?
The InChIKey is VCFKSHPFUOSKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-16-11-12-22-20(15-16)21(13-14-28-22)25-24(27)19-10-6-5-9-18(19)23(26)17-7-3-2-4-8-17/h2-12,15,21H,13-14H2,1H3,(H,25,27).
What are the key properties of 2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide?
2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide has a molecular weight of 371.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide is sourced from PubChem (CID 108757445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).