N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide

C17H12N2O4 — CID 717683

IUPACN-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C17H12N2O4/c18-15(20)10-5-7-12(8-6-10)19-16(21)13-9-11-3-1-2-4-14(11)23-17(13)22/h1-9H,(H2,18,20)(H,19,21)
InChIKeyJMJYQIKQPKNWNW-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.14
Rot. Bonds3

About N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide

N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 717683) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
PubChem CID717683
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC NameN-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C17H12N2O4/c18-15(20)10-5-7-12(8-6-10)19-16(21)13-9-11-3-1-2-4-14(11)23-17(13)22/h1-9H,(H2,18,20)(H,19,21)
InChIKeyJMJYQIKQPKNWNW-UHFFFAOYSA-N
XLogP2.14
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.14
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

2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 1253528
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 121062400
N-(3-ethynylphenyl)-2-oxochromene-3-carboxamide
CID 2732913

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide (CID 717683) is N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide is NC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is JMJYQIKQPKNWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c18-15(20)10-5-7-12(8-6-10)19-16(21)13-9-11-3-1-2-4-14(11)23-17(13)22/h1-9H,(H2,18,20)(H,19,21).
What are the key properties of N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide?
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 308.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 717683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).