N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide

C18H14N2O4 — CID 34584567

IUPACN-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
SMILESCc1c(NC(=O)c2cc3ccccc3oc2=O)cccc1C(N)=O
InChIInChI=1S/C18H14N2O4/c1-10-12(16(19)21)6-4-7-14(10)20-17(22)13-9-11-5-2-3-8-15(11)24-18(13)23/h2-9H,1H3,(H2,19,21)(H,20,22)
InChIKeyMOLLZJZQVOXQMI-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.45
Rot. Bonds3

About N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide

N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 34584567) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
PubChem CID34584567
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
SMILESCc1c(NC(=O)c2cc3ccccc3oc2=O)cccc1C(N)=O
InChIInChI=1S/C18H14N2O4/c1-10-12(16(19)21)6-4-7-14(10)20-17(22)13-9-11-5-2-3-8-15(11)24-18(13)23/h2-9H,1H3,(H2,19,21)(H,20,22)
InChIKeyMOLLZJZQVOXQMI-UHFFFAOYSA-N
XLogP2.45
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.45
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-oxochromene-3-carbonyl)amino]thiourea
CID 14494824
N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 86835457
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N-(3-carbamoyl-5-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide
CID 16857844
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 2987293
N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 82330981
N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide
CID 110745226
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
3-(1-benzofuran-2-carbonylcarbamothioylamino)-2-methylbenzoic acid
CID 1328431

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide (CID 34584567) is N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide is Cc1c(NC(=O)c2cc3ccccc3oc2=O)cccc1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is MOLLZJZQVOXQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-10-12(16(19)21)6-4-7-14(10)20-17(22)13-9-11-5-2-3-8-15(11)24-18(13)23/h2-9H,1H3,(H2,19,21)(H,20,22).
What are the key properties of N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide?
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 34584567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).