N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C17H22F3NO — CID 78832857

IUPACN,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H22F3NO/c1-3-9-21(10-4-2)16(22)14-11-13(14)12-7-5-6-8-15(12)17(18,19)20/h5-8,13-14H,3-4,9-11H2,1-2H3
InChIKeyYORPRJNSARCICA-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.46
Rot. Bonds6

About N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 78832857) has the molecular formula C17H22F3NO and a molecular weight of 313.36 g/mol. Its IUPAC name is N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID78832857
Molecular FormulaC17H22F3NO
Molecular Weight313.36 g/mol
Exact Mass313.17
IUPAC NameN,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H22F3NO/c1-3-9-21(10-4-2)16(22)14-11-13(14)12-7-5-6-8-15(12)17(18,19)20/h5-8,13-14H,3-4,9-11H2,1-2H3
InChIKeyYORPRJNSARCICA-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide 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,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 78832857) is N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CCCN(CCC)C(=O)C1CC1c1ccccc1C(F)(F)F.
What is the InChIKey of N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is YORPRJNSARCICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO/c1-3-9-21(10-4-2)16(22)14-11-13(14)12-7-5-6-8-15(12)17(18,19)20/h5-8,13-14H,3-4,9-11H2,1-2H3.
What are the key properties of N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78832857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).