N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide

C24H18N2O4 — CID 1253528

IUPACN-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C24H18N2O4/c27-22(25-15-16-6-2-1-3-7-16)17-10-12-19(13-11-17)26-23(28)20-14-18-8-4-5-9-21(18)30-24(20)29/h1-14H,15H2,(H,25,27)(H,26,28)
InChIKeyWGSOLVRSMOVQMR-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.98
Rot. Bonds5

About N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide

N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 1253528) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID1253528
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC NameN-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C24H18N2O4/c27-22(25-15-16-6-2-1-3-7-16)17-10-12-19(13-11-17)26-23(28)20-14-18-8-4-5-9-21(18)30-24(20)29/h1-14H,15H2,(H,25,27)(H,26,28)
InChIKeyWGSOLVRSMOVQMR-UHFFFAOYSA-N
XLogP3.98
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-[[(2-oxochromene-3-carbonyl)amino]methyl]phenyl]carbamate
CID 47058004
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 121062400
N-[[4-(butylcarbamoyl)phenyl]methyl]-2-oxochromene-3-carboxamide
CID 86986297
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 24571213
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide (CID 1253528) is N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide is O=C(NCc1ccccc1)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is WGSOLVRSMOVQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c27-22(25-15-16-6-2-1-3-7-16)17-10-12-19(13-11-17)26-23(28)20-14-18-8-4-5-9-21(18)30-24(20)29/h1-14H,15H2,(H,25,27)(H,26,28).
What are the key properties of N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide?
N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1253528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).