N-(3-chloro-1-fluoropropyl)acetamide

C5H9ClFNO — CID 172755059

IUPACN-(3-chloro-1-fluoropropyl)acetamide
SMILESCC(=O)NC(F)CCCl
InChIInChI=1S/C5H9ClFNO/c1-4(9)8-5(7)2-3-6/h5H,2-3H2,1H3,(H,8,9)
InChIKeyKXDYWHHYZYLBCZ-UHFFFAOYSA-N
MW153.58 g/mol
LogP1.05
Rot. Bonds3

About N-(3-chloro-1-fluoropropyl)acetamide

N-(3-chloro-1-fluoropropyl)acetamide (PubChem CID 172755059) has the molecular formula C5H9ClFNO and a molecular weight of 153.58 g/mol. Its IUPAC name is N-(3-chloro-1-fluoropropyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-1-fluoropropyl)acetamide
PubChem CID172755059
Molecular FormulaC5H9ClFNO
Molecular Weight153.58 g/mol
Exact Mass153.04
IUPAC NameN-(3-chloro-1-fluoropropyl)acetamide
SMILESCC(=O)NC(F)CCCl
InChIInChI=1S/C5H9ClFNO/c1-4(9)8-5(7)2-3-6/h5H,2-3H2,1H3,(H,8,9)
InChIKeyKXDYWHHYZYLBCZ-UHFFFAOYSA-N
XLogP1.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.58
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-chloro-1-fluoropropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-fluoropropyl)acetamide?
The IUPAC name of N-(3-chloro-1-fluoropropyl)acetamide (CID 172755059) is N-(3-chloro-1-fluoropropyl)acetamide.
What is the SMILES notation for N-(3-chloro-1-fluoropropyl)acetamide?
The canonical SMILES for N-(3-chloro-1-fluoropropyl)acetamide is CC(=O)NC(F)CCCl.
What is the InChIKey of N-(3-chloro-1-fluoropropyl)acetamide?
The InChIKey is KXDYWHHYZYLBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClFNO/c1-4(9)8-5(7)2-3-6/h5H,2-3H2,1H3,(H,8,9).
What are the key properties of N-(3-chloro-1-fluoropropyl)acetamide?
N-(3-chloro-1-fluoropropyl)acetamide has a molecular weight of 153.58 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-fluoropropyl)acetamide is sourced from PubChem (CID 172755059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).