(2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide

C10H10BrClFNO — CID 92864164

IUPAC(2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide
SMILESCC[C@H](Br)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10BrClFNO/c1-2-7(11)10(15)14-6-3-4-9(13)8(12)5-6/h3-5,7H,2H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyHABHQHUFXFSFGI-ZETCQYMHSA-N
MW294.55 g/mol
LogP3.59
Rot. Bonds3

About (2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide

(2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide (PubChem CID 92864164) has the molecular formula C10H10BrClFNO and a molecular weight of 294.55 g/mol. Its IUPAC name is (2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide
PubChem CID92864164
Molecular FormulaC10H10BrClFNO
Molecular Weight294.55 g/mol
Exact Mass292.96
IUPAC Name(2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide
SMILESCC[C@H](Br)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10BrClFNO/c1-2-7(11)10(15)14-6-3-4-9(13)8(12)5-6/h3-5,7H,2H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyHABHQHUFXFSFGI-ZETCQYMHSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide 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-bromo-N-(4-fluoro-3-methylphenyl)butanamide
CID 62856020
2-bromo-N-(3-cyano-4-fluorophenyl)butanamide
CID 62855843
2-bromo-N-(3-chloro-4-nitrophenyl)butanamide
CID 82864976
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
CID 62855661
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
2-bromo-N-(3-chloro-4-propoxyphenyl)butanamide
CID 62854145
1-butan-2-yl-3-(3-chloro-4-fluorophenyl)urea
CID 2951179
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
CID 43905967
(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide
CID 51648206
ethyl 2-[(3-chloro-4-fluorophenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537724
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide?
The IUPAC name of (2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide (CID 92864164) is (2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide.
What is the SMILES notation for (2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide?
The canonical SMILES for (2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide is CC[C@H](Br)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide?
The InChIKey is HABHQHUFXFSFGI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10BrClFNO/c1-2-7(11)10(15)14-6-3-4-9(13)8(12)5-6/h3-5,7H,2H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide?
(2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide has a molecular weight of 294.55 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-N-(3-chloro-4-fluorophenyl)butanamide is sourced from PubChem (CID 92864164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).