4-(3-chloro-4-fluoroanilino)chromen-2-one

C15H9ClFNO2 — CID 11312308

IUPAC4-(3-chloro-4-fluoroanilino)chromen-2-one
SMILESO=c1cc(Nc2ccc(F)c(Cl)c2)c2ccccc2o1
InChIInChI=1S/C15H9ClFNO2/c16-11-7-9(5-6-12(11)17)18-13-8-15(19)20-14-4-2-1-3-10(13)14/h1-8,18H
InChIKeyUGPSPBCRAREXLA-UHFFFAOYSA-N
MW289.69 g/mol
LogP4.33
Rot. Bonds2

About 4-(3-chloro-4-fluoroanilino)chromen-2-one

4-(3-chloro-4-fluoroanilino)chromen-2-one (PubChem CID 11312308) has the molecular formula C15H9ClFNO2 and a molecular weight of 289.69 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)chromen-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)chromen-2-one
PubChem CID11312308
Molecular FormulaC15H9ClFNO2
Molecular Weight289.69 g/mol
Exact Mass289.03
IUPAC Name4-(3-chloro-4-fluoroanilino)chromen-2-one
SMILESO=c1cc(Nc2ccc(F)c(Cl)c2)c2ccccc2o1
InChIInChI=1S/C15H9ClFNO2/c16-11-7-9(5-6-12(11)17)18-13-8-15(19)20-14-4-2-1-3-10(13)14/h1-8,18H
InChIKeyUGPSPBCRAREXLA-UHFFFAOYSA-N
XLogP4.33
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloro-4-fluoroanilino)-5,7-dimethylchromen-2-one
CID 848622
4-(tert-butylamino)chromen-2-one
CID 101435366
N-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
CID 20855545
4-(2-aminoethylamino)chromen-2-one
CID 119085544
N-(3-chloro-4-fluorophenyl)-2,3,4-trifluoroaniline
CID 82536183
2-(3-chloro-4-fluoroanilino)-N-methylbenzenesulfonamide
CID 43454338
4-(3-chloro-4-fluoroanilino)-3-fluorobenzoic acid
CID 55108022
N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide
CID 7200191
3-chloro-4-fluoro-N-(3-fluorophenyl)aniline
CID 82536211
N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine
CID 69169805
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
3-(3-chloro-4-fluoroanilino)benzoic acid
CID 82536192

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)chromen-2-one?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)chromen-2-one (CID 11312308) is 4-(3-chloro-4-fluoroanilino)chromen-2-one.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)chromen-2-one?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)chromen-2-one is O=c1cc(Nc2ccc(F)c(Cl)c2)c2ccccc2o1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)chromen-2-one?
The InChIKey is UGPSPBCRAREXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2/c16-11-7-9(5-6-12(11)17)18-13-8-15(19)20-14-4-2-1-3-10(13)14/h1-8,18H.
What are the key properties of 4-(3-chloro-4-fluoroanilino)chromen-2-one?
4-(3-chloro-4-fluoroanilino)chromen-2-one has a molecular weight of 289.69 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)chromen-2-one is sourced from PubChem (CID 11312308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).