2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide

C19H26FNO2 — CID 71845965

IUPAC2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCC1CCCCC1O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C19H26FNO2/c20-15-9-7-13(8-10-15)16-12-17(16)19(23)21-11-3-5-14-4-1-2-6-18(14)22/h7-10,14,16-18,22H,1-6,11-12H2,(H,21,23)
InChIKeyPAJGQGPBUKNUFL-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.38
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide

2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide (PubChem CID 71845965) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide
PubChem CID71845965
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCC1CCCCC1O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C19H26FNO2/c20-15-9-7-13(8-10-15)16-12-17(16)19(23)21-11-3-5-14-4-1-2-6-18(14)22/h7-10,14,16-18,22H,1-6,11-12H2,(H,21,23)
InChIKeyPAJGQGPBUKNUFL-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide (CID 71845965) is 2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide is O=C(NCCCC1CCCCC1O)C1CC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide?
The InChIKey is PAJGQGPBUKNUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c20-15-9-7-13(8-10-15)16-12-17(16)19(23)21-11-3-5-14-4-1-2-6-18(14)22/h7-10,14,16-18,22H,1-6,11-12H2,(H,21,23).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide?
2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide has a molecular weight of 319.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71845965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).