2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide

C15H19ClFNO2 — CID 109479078

IUPAC2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide
SMILESCCC(CCO)NC(=O)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C15H19ClFNO2/c1-2-9(6-7-19)18-15(20)11-8-10(11)14-12(16)4-3-5-13(14)17/h3-5,9-11,19H,2,6-8H2,1H3,(H,18,20)
InChIKeyRMCMXIZIZNYOJS-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.86
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide

2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide (PubChem CID 109479078) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide
PubChem CID109479078
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide
SMILESCCC(CCO)NC(=O)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C15H19ClFNO2/c1-2-9(6-7-19)18-15(20)11-8-10(11)14-12(16)4-3-5-13(14)17/h3-5,9-11,19H,2,6-8H2,1H3,(H,18,20)
InChIKeyRMCMXIZIZNYOJS-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)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 2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide (CID 109479078) is 2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide is CCC(CCO)NC(=O)C1CC1c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide?
The InChIKey is RMCMXIZIZNYOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-2-9(6-7-19)18-15(20)11-8-10(11)14-12(16)4-3-5-13(14)17/h3-5,9-11,19H,2,6-8H2,1H3,(H,18,20).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide?
2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide has a molecular weight of 299.77 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypentan-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109479078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).