1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone

C15H13ClFNO — CID 62909843

IUPAC1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)c2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO/c1-10(19)11-7-8-14(12(16)9-11)18(2)15-6-4-3-5-13(15)17/h3-9H,1-2H3
InChIKeyWJHNMAZDLGINPE-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.45
Rot. Bonds3

About 1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone

1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone (PubChem CID 62909843) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone
PubChem CID62909843
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)c2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO/c1-10(19)11-7-8-14(12(16)9-11)18(2)15-6-4-3-5-13(15)17/h3-9H,1-2H3
InChIKeyWJHNMAZDLGINPE-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]ethanone
CID 62909660
4-amino-3-(2-fluoro-N-methylanilino)benzoic acid
CID 82785779
1-[3-fluoro-4-(N,3,5-trimethylanilino)phenyl]ethanone
CID 63532043
[3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone
CID 162398162
1-[3-chloro-4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanone
CID 62909147
3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 154748258
1-[4-(N-butylanilino)-3-chlorophenyl]ethanone
CID 64584427
1-[4-[bis(2-ethoxyethyl)amino]-3-chlorophenyl]ethanone
CID 82938130
N-bromo-N-(2-fluorophenyl)acetamide
CID 131853313
2-fluoro-N-(2-fluorophenyl)-N-methyl-4-phenylaniline
CID 90266704
2,5-bis(2-fluoro-N-methylanilino)benzene-1,4-dicarbonitrile
CID 21058556
1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone
CID 63533402

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone (CID 62909843) is 1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone is CC(=O)c1ccc(N(C)c2ccccc2F)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone?
The InChIKey is WJHNMAZDLGINPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-10(19)11-7-8-14(12(16)9-11)18(2)15-6-4-3-5-13(15)17/h3-9H,1-2H3.
What are the key properties of 1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone?
1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone has a molecular weight of 277.73 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone is sourced from PubChem (CID 62909843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).