1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one

C16H15ClFNO — CID 62644011

IUPAC1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one
SMILESCN(CCC(=O)c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C16H15ClFNO/c1-19(15-9-5-4-8-14(15)18)11-10-16(20)12-6-2-3-7-13(12)17/h2-9H,10-11H2,1H3
InChIKeyRJIGSVCXWNQTIU-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.19
Rot. Bonds5

About 1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one

1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one (PubChem CID 62644011) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one
PubChem CID62644011
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one
SMILESCN(CCC(=O)c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C16H15ClFNO/c1-19(15-9-5-4-8-14(15)18)11-10-16(20)12-6-2-3-7-13(12)17/h2-9H,10-11H2,1H3
InChIKeyRJIGSVCXWNQTIU-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-(N,2-dimethylanilino)propan-1-one
CID 82777939
hydrazinyl 3-(2-fluoro-N-methylanilino)propanoate
CID 66336754
2-fluoro-N-methyl-N-propylaniline
CID 67818828
1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one
CID 62645176
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 55099156
1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 55099203
3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one
CID 62629701
2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol
CID 112616199
1-(2-chlorophenyl)pent-4-yn-1-one
CID 63656903
3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
CID 62642965
3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
CID 63493359
1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one
CID 113476348

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one (CID 62644011) is 1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one is CN(CCC(=O)c1ccccc1Cl)c1ccccc1F.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one?
The InChIKey is RJIGSVCXWNQTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-19(15-9-5-4-8-14(15)18)11-10-16(20)12-6-2-3-7-13(12)17/h2-9H,10-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one?
1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one has a molecular weight of 291.75 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one is sourced from PubChem (CID 62644011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).