4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide

C13H17ClFNO — CID 63308194

IUPAC4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)CCCCl
InChIInChI=1S/C13H17ClFNO/c1-10(16-13(17)3-2-8-14)9-11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyDXCILXZUVVYVBH-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.89
Rot. Bonds6

About 4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide

4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide (PubChem CID 63308194) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
PubChem CID63308194
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)CCCCl
InChIInChI=1S/C13H17ClFNO/c1-10(16-13(17)3-2-8-14)9-11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyDXCILXZUVVYVBH-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]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

4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide
CID 82109331
4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 63307815
(3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide
CID 95213981
3-chloro-N-(1-phenylpropan-2-yl)propanamide
CID 3550913
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504
3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]propane-1-sulfonamide
CID 62997355
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide
CID 79199126
5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide
CID 61473652
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
CID 43700876
4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide
CID 63307948

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide?
The IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide (CID 63308194) is 4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide.
What is the SMILES notation for 4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide?
The canonical SMILES for 4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide is CC(Cc1ccc(F)cc1)NC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide?
The InChIKey is DXCILXZUVVYVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-10(16-13(17)3-2-8-14)9-11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of 4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide?
4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide has a molecular weight of 257.74 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide is sourced from PubChem (CID 63308194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).