3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one

C13H11ClFNO2 — CID 726058

IUPAC3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one
SMILESO=C(CCNc1ccc(F)c(Cl)c1)c1ccco1
InChIInChI=1S/C13H11ClFNO2/c14-10-8-9(3-4-11(10)15)16-6-5-12(17)13-2-1-7-18-13/h1-4,7-8,16H,5-6H2
InChIKeyPDDSWKQHNZUESJ-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.76
Rot. Bonds5

About 3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one

3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one (PubChem CID 726058) has the molecular formula C13H11ClFNO2 and a molecular weight of 267.69 g/mol. Its IUPAC name is 3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one
PubChem CID726058
Molecular FormulaC13H11ClFNO2
Molecular Weight267.69 g/mol
Exact Mass267.05
IUPAC Name3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one
SMILESO=C(CCNc1ccc(F)c(Cl)c1)c1ccco1
InChIInChI=1S/C13H11ClFNO2/c14-10-8-9(3-4-11(10)15)16-6-5-12(17)13-2-1-7-18-13/h1-4,7-8,16H,5-6H2
InChIKeyPDDSWKQHNZUESJ-UHFFFAOYSA-N
XLogP3.76
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Furyl)-3-(4-phenoxyanilino)-1-propanone
CID 855038
3-[(4-Chlorophenyl)amino]-1-(5-methyl-2-furyl)-1-propanone
CID 760941
3-[(3,5-Dichlorophenyl)amino]-1-(2-furyl)-1-propanone
CID 760985
3-[(3-Chloro-4-fluorophenyl)amino]-1-(5-methyl-2-furyl)-1-propanone
CID 882719
3-[(3-Fluorophenyl)amino]-1-(2-furyl)-2-propen-1-one
CID 1982325
3-[(4-Fluorophenyl)amino]-1-(2-furyl)-2-propen-1-one
CID 2195987
3-{[4-(2-Chlorophenoxy)phenyl]amino}-1-(2-furyl)-2-propen-1-one
CID 2196420
3-[(2,4-Difluorophenyl)amino]-1-(2-furyl)-2-propen-1-one
CID 2196922
(Z)-3-(4-fluoroanilino)-1-(furan-2-yl)prop-2-en-1-one
CID 40712503
Furan-2-carboxylic acid [(3-chloro-4-fluoro-phenylcarbamoyl)-methyl]-amide
CID 6486913
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]furan-2-carboxamide
CID 2443194
N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]furan-2-carboxamide
CID 2489557

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one?
The IUPAC name of 3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one (CID 726058) is 3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one.
What is the SMILES notation for 3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one?
The canonical SMILES for 3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one is O=C(CCNc1ccc(F)c(Cl)c1)c1ccco1.
What is the InChIKey of 3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one?
The InChIKey is PDDSWKQHNZUESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2/c14-10-8-9(3-4-11(10)15)16-6-5-12(17)13-2-1-7-18-13/h1-4,7-8,16H,5-6H2.
What are the key properties of 3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one?
3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one has a molecular weight of 267.69 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluoroanilino)-1-(furan-2-yl)propan-1-one is sourced from PubChem (CID 726058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).