2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide

C10H15ClF3NO — CID 60948884

IUPAC2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Cl)C(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C10H15ClF3NO/c1-6(11)9(16)15(5-10(12,13)14)7(2)8-3-4-8/h6-8H,3-5H2,1-2H3
InChIKeyOAQRHFSMWBKJNA-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.80
Rot. Bonds4

About 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide

2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60948884) has the molecular formula C10H15ClF3NO and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60948884
Molecular FormulaC10H15ClF3NO
Molecular Weight257.68 g/mol
Exact Mass257.08
IUPAC Name2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Cl)C(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C10H15ClF3NO/c1-6(11)9(16)15(5-10(12,13)14)7(2)8-3-4-8/h6-8H,3-5H2,1-2H3
InChIKeyOAQRHFSMWBKJNA-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide 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 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 60948884) is 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(Cl)C(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OAQRHFSMWBKJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3NO/c1-6(11)9(16)15(5-10(12,13)14)7(2)8-3-4-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide?
2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 257.68 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60948884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).