8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide

C16H8ClF2NO3 — CID 100794805

IUPAC8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc2cccc(Cl)c2oc1=O
InChIInChI=1S/C16H8ClF2NO3/c17-11-3-1-2-8-6-10(16(22)23-14(8)11)15(21)20-13-5-4-9(18)7-12(13)19/h1-7H,(H,20,21)
InChIKeyGMIOMNNALIZISE-UHFFFAOYSA-N
MW335.69 g/mol
LogP3.98
Rot. Bonds2

About 8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide

8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide (PubChem CID 100794805) has the molecular formula C16H8ClF2NO3 and a molecular weight of 335.69 g/mol. Its IUPAC name is 8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide
PubChem CID100794805
Molecular FormulaC16H8ClF2NO3
Molecular Weight335.69 g/mol
Exact Mass335.02
IUPAC Name8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc2cccc(Cl)c2oc1=O
InChIInChI=1S/C16H8ClF2NO3/c17-11-3-1-2-8-6-10(16(22)23-14(8)11)15(21)20-13-5-4-9(18)7-12(13)19/h1-7H,(H,20,21)
InChIKeyGMIOMNNALIZISE-UHFFFAOYSA-N
XLogP3.98
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.69
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-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

8-chloro-N-(2-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 100794922
8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 100794843
8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
CID 100794927
N-(2-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794157
8-chloro-N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 100794846
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide
CID 100794759
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
8-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 100794958
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
8-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxochromene-3-carboxamide
CID 100794839
N-(1,3-benzodioxol-5-yl)-8-chloro-2-oxochromene-3-carboxamide
CID 100794837

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide (CID 100794805) is 8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1cc2cccc(Cl)c2oc1=O.
What is the InChIKey of 8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide?
The InChIKey is GMIOMNNALIZISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF2NO3/c17-11-3-1-2-8-6-10(16(22)23-14(8)11)15(21)20-13-5-4-9(18)7-12(13)19/h1-7H,(H,20,21).
What are the key properties of 8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide?
8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide has a molecular weight of 335.69 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2,4-difluorophenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 100794805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).