N-(3-chloro-4-fluorophenyl)-3-methylbutanamide

C11H13ClFNO — CID 849199

IUPACN-(3-chloro-4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO/c1-7(2)5-11(15)14-8-3-4-10(13)9(12)6-8/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyUCRUPDLBRNQIHP-UHFFFAOYSA-N
MW229.68 g/mol
LogP3.46
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-3-methylbutanamide

N-(3-chloro-4-fluorophenyl)-3-methylbutanamide (PubChem CID 849199) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-methylbutanamide
PubChem CID849199
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO/c1-7(2)5-11(15)14-8-3-4-10(13)9(12)6-8/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyUCRUPDLBRNQIHP-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-chloro-4-fluorophenyl)-3-methylbutanamide 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

N-(4-fluoro-3-methylphenyl)-3-methylbutanamide
CID 110776354
[2-fluoro-5-(3-methylbutanoylamino)phenyl]boronic acid
CID 164647260
2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113158932
N-(3-chloro-4-fluorophenyl)-3-(3-methylbutanoylcarbamothioylamino)benzamide
CID 26167306
3-(butan-2-ylamino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 109013179
(2S)-2-amino-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 82961362
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
1-butan-2-yl-3-(3-chloro-4-fluorophenyl)urea
CID 2951179
4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043948
N-(3-chloro-4-fluorophenyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136167

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-methylbutanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-methylbutanamide (CID 849199) is N-(3-chloro-4-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-methylbutanamide?
The InChIKey is UCRUPDLBRNQIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-7(2)5-11(15)14-8-3-4-10(13)9(12)6-8/h3-4,6-7H,5H2,1-2H3,(H,14,15).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-methylbutanamide?
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide has a molecular weight of 229.68 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 849199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).