1-(3-fluoro-5-methylanilino)propan-2-one

C10H12FNO — CID 143897845

IUPAC1-(3-fluoro-5-methylanilino)propan-2-one
SMILESCC(=O)CNc1cc(C)cc(F)c1
InChIInChI=1S/C10H12FNO/c1-7-3-9(11)5-10(4-7)12-6-8(2)13/h3-5,12H,6H2,1-2H3
InChIKeyTXVMAOWLRBTBPC-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.14
Rot. Bonds3

About 1-(3-fluoro-5-methylanilino)propan-2-one

1-(3-fluoro-5-methylanilino)propan-2-one (PubChem CID 143897845) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylanilino)propan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methylanilino)propan-2-one
PubChem CID143897845
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-(3-fluoro-5-methylanilino)propan-2-one
SMILESCC(=O)CNc1cc(C)cc(F)c1
InChIInChI=1S/C10H12FNO/c1-7-3-9(11)5-10(4-7)12-6-8(2)13/h3-5,12H,6H2,1-2H3
InChIKeyTXVMAOWLRBTBPC-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-5-methylanilino)propan-2-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

2-[(3-fluoro-5-methylanilino)methyl]prop-2-enoic acid
CID 103255955
2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 79054522
1-(azepan-1-yl)-2-(3-fluoro-5-methylanilino)ethanone
CID 79055078
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274
2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 79054916
N-(3-fluoro-5-methylphenyl)-2-(methylamino)acetamide
CID 79050421
1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 103255963
N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 79692011
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
ethane;1-(4-methylanilino)propan-2-one
CID 143614458
1-[4-(2-oxopropylamino)anilino]propan-2-one
CID 141317857
N-(3-fluoro-5-methylphenyl)propanamide
CID 79047082

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylanilino)propan-2-one?
The IUPAC name of 1-(3-fluoro-5-methylanilino)propan-2-one (CID 143897845) is 1-(3-fluoro-5-methylanilino)propan-2-one.
What is the SMILES notation for 1-(3-fluoro-5-methylanilino)propan-2-one?
The canonical SMILES for 1-(3-fluoro-5-methylanilino)propan-2-one is CC(=O)CNc1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylanilino)propan-2-one?
The InChIKey is TXVMAOWLRBTBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7-3-9(11)5-10(4-7)12-6-8(2)13/h3-5,12H,6H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylanilino)propan-2-one?
1-(3-fluoro-5-methylanilino)propan-2-one has a molecular weight of 181.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylanilino)propan-2-one is sourced from PubChem (CID 143897845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).