N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide

C17H12FNO3 — CID 9097785

IUPACN-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H12FNO3/c1-10-6-7-11(18)8-13(10)19-17(21)16-9-14(20)12-4-2-3-5-15(12)22-16/h2-9H,1H3,(H,19,21)
InChIKeySGEVLHYVLRTKJS-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.49
Rot. Bonds2

About N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide

N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide (PubChem CID 9097785) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
PubChem CID9097785
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H12FNO3/c1-10-6-7-11(18)8-13(10)19-17(21)16-9-14(20)12-4-2-3-5-15(12)22-16/h2-9H,1H3,(H,19,21)
InChIKeySGEVLHYVLRTKJS-UHFFFAOYSA-N
XLogP3.49
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[(4-oxochromene-2-carbonyl)amino]benzoic acid
CID 3400786
N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605544
N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide
CID 2474419
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-(2-chlorophenyl)-4-oxochromene-2-carboxamide
CID 892812
N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
CID 103789742
N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 4275844
N-[2-ethyl-4-[[3-ethyl-5-methyl-4-[(4-oxochromene-2-carbonyl)amino]phenyl]methyl]-5-methylphenyl]-4-oxochromene-2-carboxamide
CID 51059439
6-fluoro-N-methyl-4-oxochromene-2-carboxamide
CID 139338161
N-[(4-fluorophenyl)-phenylmethyl]-4-oxochromene-2-carboxamide
CID 86925625
N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide
CID 22105775
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 17014479

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide (CID 9097785) is N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide is Cc1ccc(F)cc1NC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide?
The InChIKey is SGEVLHYVLRTKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c1-10-6-7-11(18)8-13(10)19-17(21)16-9-14(20)12-4-2-3-5-15(12)22-16/h2-9H,1H3,(H,19,21).
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide?
N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 9097785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).