3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one

C17H18FNO — CID 4051768

IUPAC3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
SMILESCc1ccc(NCCC(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C17H18FNO/c1-12-3-8-16(11-13(12)2)19-10-9-17(20)14-4-6-15(18)7-5-14/h3-8,11,19H,9-10H2,1-2H3
InChIKeyKGILTBYBJQDNRK-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.13
Rot. Bonds5

About 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one

3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one (PubChem CID 4051768) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
PubChem CID4051768
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
SMILESCc1ccc(NCCC(=O)c2ccc(F)cc2)cc1C
InChIInChI=1S/C17H18FNO/c1-12-3-8-16(11-13(12)2)19-10-9-17(20)14-4-6-15(18)7-5-14/h3-8,11,19H,9-10H2,1-2H3
InChIKeyKGILTBYBJQDNRK-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)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-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one
CID 94278599
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one
CID 3403604
1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
CID 4249451
3-(3,4-dimethylanilino)propanamide
CID 43131963
2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone
CID 82119902
3-(4-butan-2-ylanilino)-1-(4-fluorophenyl)propan-1-one
CID 3555461
3-(3,4-dimethylanilino)-1-(5-methylfuran-2-yl)propan-1-one
CID 877362
2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
CID 60720002
1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one
CID 94281167
1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one
CID 17138754
N-(4-bromo-3-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9165178

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one (CID 4051768) is 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one is Cc1ccc(NCCC(=O)c2ccc(F)cc2)cc1C.
What is the InChIKey of 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is KGILTBYBJQDNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-3-8-16(11-13(12)2)19-10-9-17(20)14-4-6-15(18)7-5-14/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one?
3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 271.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 4051768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).