4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide

C11H17ClF3NO — CID 55204446

IUPAC4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CCCCl
InChIInChI=1S/C11H17ClF3NO/c1-8(9-4-5-9)16(7-11(13,14)15)10(17)3-2-6-12/h8-9H,2-7H2,1H3
InChIKeyRUXLKXIXROCYII-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.19
Rot. Bonds6

About 4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide

4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 55204446) has the molecular formula C11H17ClF3NO and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID55204446
Molecular FormulaC11H17ClF3NO
Molecular Weight271.71 g/mol
Exact Mass271.10
IUPAC Name4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CCCCl
InChIInChI=1S/C11H17ClF3NO/c1-8(9-4-5-9)16(7-11(13,14)15)10(17)3-2-6-12/h8-9H,2-7H2,1H3
InChIKeyRUXLKXIXROCYII-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)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-(2-Chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone
CID 59581203
2-chloro-N-[(1S)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2530239
2-chloro-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2530241
2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 3678006
5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 54875321
5-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 54875538
5-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 54875705
Propanamide, 3-chloro-N-(1-cyclopropylethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-
CID 55110482
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 60717511
3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60948883
2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60948884
5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60950070

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide (CID 55204446) is 4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide is CC(C1CC1)N(CC(F)(F)F)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is RUXLKXIXROCYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF3NO/c1-8(9-4-5-9)16(7-11(13,14)15)10(17)3-2-6-12/h8-9H,2-7H2,1H3.
What are the key properties of 4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide?
4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 271.71 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 55204446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).