N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide

C23H17NO3 — CID 13285193

IUPACN-[(2-oxochromen-3-yl)-phenylmethyl]benzamide
SMILESO=C(NC(c1ccccc1)c1cc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C23H17NO3/c25-22(17-11-5-2-6-12-17)24-21(16-9-3-1-4-10-16)19-15-18-13-7-8-14-20(18)27-23(19)26/h1-15,21H,(H,24,25)
InChIKeyIKIJSTDFRMHRGK-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.31
Rot. Bonds4

About N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide

N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide (PubChem CID 13285193) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound NameN-[(2-oxochromen-3-yl)-phenylmethyl]benzamide
PubChem CID13285193
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC NameN-[(2-oxochromen-3-yl)-phenylmethyl]benzamide
SMILESO=C(NC(c1ccccc1)c1cc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C23H17NO3/c25-22(17-11-5-2-6-12-17)24-21(16-9-3-1-4-10-16)19-15-18-13-7-8-14-20(18)27-23(19)26/h1-15,21H,(H,24,25)
InChIKeyIKIJSTDFRMHRGK-UHFFFAOYSA-N
XLogP4.31
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
CID 42925184
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3356833
2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide
CID 40635761
(2S)-3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]butanoate
CID 7094528
3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide
CID 60569246
(2S)-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]propanoic acid
CID 7095122
N-[(4-hydroxyphenyl)-phenylmethyl]benzamide
CID 135070955
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]butanoic acid
CID 4839243
N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide
CID 18284060
2-oxochromene-3-carboxylic acid
CID 161011590

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide?
The IUPAC name of N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide (CID 13285193) is N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide.
What is the SMILES notation for N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide?
The canonical SMILES for N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide is O=C(NC(c1ccccc1)c1cc2ccccc2oc1=O)c1ccccc1.
What is the InChIKey of N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide?
The InChIKey is IKIJSTDFRMHRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c25-22(17-11-5-2-6-12-17)24-21(16-9-3-1-4-10-16)19-15-18-13-7-8-14-20(18)27-23(19)26/h1-15,21H,(H,24,25).
What are the key properties of N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide?
N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide has a molecular weight of 355.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxochromen-3-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 13285193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).