N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide

C14H23F2NO — CID 58376855

IUPACN-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide
SMILESCCCN(C(=O)CC1CCC(F)(F)CC1)C1CC1
InChIInChI=1S/C14H23F2NO/c1-2-9-17(12-3-4-12)13(18)10-11-5-7-14(15,16)8-6-11/h11-12H,2-10H2,1H3
InChIKeyBNGMYJJPXDKSLG-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.60
Rot. Bonds5

About N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide

N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide (PubChem CID 58376855) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide
PubChem CID58376855
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC NameN-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide
SMILESCCCN(C(=O)CC1CCC(F)(F)CC1)C1CC1
InChIInChI=1S/C14H23F2NO/c1-2-9-17(12-3-4-12)13(18)10-11-5-7-14(15,16)8-6-11/h11-12H,2-10H2,1H3
InChIKeyBNGMYJJPXDKSLG-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide 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-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide?
The IUPAC name of N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide (CID 58376855) is N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide?
The canonical SMILES for N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide is CCCN(C(=O)CC1CCC(F)(F)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide?
The InChIKey is BNGMYJJPXDKSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-2-9-17(12-3-4-12)13(18)10-11-5-7-14(15,16)8-6-11/h11-12H,2-10H2,1H3.
What are the key properties of N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide?
N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide has a molecular weight of 259.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide is sourced from PubChem (CID 58376855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).