N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide

C13H14F3NO — CID 110486480

IUPACN-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
SMILESCCCNC(=O)C1(c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C13H14F3NO/c1-2-7-17-12(18)13(5-6-13)8-3-4-9(14)11(16)10(8)15/h3-4H,2,5-7H2,1H3,(H,17,18)
InChIKeyKCTUMIWPZJYVGV-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.66
Rot. Bonds4

About N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide

N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide (PubChem CID 110486480) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
PubChem CID110486480
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC NameN-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
SMILESCCCNC(=O)C1(c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C13H14F3NO/c1-2-7-17-12(18)13(5-6-13)8-3-4-9(14)11(16)10(8)15/h3-4H,2,5-7H2,1H3,(H,17,18)
InChIKeyKCTUMIWPZJYVGV-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-propyl-1-(2,3,4-trifluorophenyl)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-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide (CID 110486480) is N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide is CCCNC(=O)C1(c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is KCTUMIWPZJYVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-2-7-17-12(18)13(5-6-13)8-3-4-9(14)11(16)10(8)15/h3-4H,2,5-7H2,1H3,(H,17,18).
What are the key properties of N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide?
N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110486480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).