3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one

C17H18FNO — CID 62629701

IUPAC3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCN(C)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-13-5-3-4-6-16(13)17(20)11-12-19(2)15-9-7-14(18)8-10-15/h3-10H,11-12H2,1-2H3
InChIKeyHEGASYVLYVZDII-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.84
Rot. Bonds5

About 3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one

3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one (PubChem CID 62629701) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one
PubChem CID62629701
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCN(C)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-13-5-3-4-6-16(13)17(20)11-12-19(2)15-9-7-14(18)8-10-15/h3-10H,11-12H2,1-2H3
InChIKeyHEGASYVLYVZDII-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one 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

1-(3-chlorophenyl)-3-(4-fluoro-N-methylanilino)propan-1-one
CID 62629866
2-(4-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64636301
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide
CID 47057182
4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline
CID 134579409
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 62612961
2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
CID 178200159
1-(2-chlorophenyl)-3-(2-fluoro-N-methylanilino)propan-1-one
CID 62644011
4-fluoro-N-methyl-N-propylaniline
CID 23197529
3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-methylphenyl)propan-1-one
CID 62629185
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-(2-methylphenyl)undecan-1-one
CID 63409592

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one?
The IUPAC name of 3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one (CID 62629701) is 3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one is Cc1ccccc1C(=O)CCN(C)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one?
The InChIKey is HEGASYVLYVZDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-13-5-3-4-6-16(13)17(20)11-12-19(2)15-9-7-14(18)8-10-15/h3-10H,11-12H2,1-2H3.
What are the key properties of 3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one?
3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one has a molecular weight of 271.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 62629701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).