6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide

C16H9ClFNO3 — CID 9040132

IUPAC6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C16H9ClFNO3/c17-9-1-6-14-12(7-9)13(20)8-15(22-14)16(21)19-11-4-2-10(18)3-5-11/h1-8H,(H,19,21)
InChIKeySVBORRMPUHEYOE-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.84
Rot. Bonds2

About 6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide

6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide (PubChem CID 9040132) has the molecular formula C16H9ClFNO3 and a molecular weight of 317.70 g/mol. Its IUPAC name is 6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide
PubChem CID9040132
Molecular FormulaC16H9ClFNO3
Molecular Weight317.70 g/mol
Exact Mass317.03
IUPAC Name6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C16H9ClFNO3/c17-9-1-6-14-12(7-9)13(20)8-15(22-14)16(21)19-11-4-2-10(18)3-5-11/h1-8H,(H,19,21)
InChIKeySVBORRMPUHEYOE-UHFFFAOYSA-N
XLogP3.84
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 9068735
N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide
CID 9203867
6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 35181653
1-[(6-chloro-4-oxochromene-2-carbonyl)amino]-3-(4-chlorophenyl)thiourea
CID 9317388
N-(4-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxamide
CID 78843309
6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide
CID 99585387
6-fluoro-N-methyl-4-oxochromene-2-carboxamide
CID 139338161
6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide
CID 51065387
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 9310257
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 9481083
N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
CID 103789742
6-chloro-N-[4-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-4-oxochromene-2-carboxamide
CID 52988546

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide (CID 9040132) is 6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(=O)c2cc(Cl)ccc2o1.
What is the InChIKey of 6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide?
The InChIKey is SVBORRMPUHEYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO3/c17-9-1-6-14-12(7-9)13(20)8-15(22-14)16(21)19-11-4-2-10(18)3-5-11/h1-8H,(H,19,21).
What are the key properties of 6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide?
6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide has a molecular weight of 317.70 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 9040132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).