2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide

C15H20FNO2 — CID 111695531

IUPAC2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-10(18)7-8-17(2)15(19)14-9-13(14)11-3-5-12(16)6-4-11/h3-6,10,13-14,18H,7-9H2,1-2H3
InChIKeyOFWOKMKGHHSABX-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.16
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide

2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 111695531) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide
PubChem CID111695531
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-10(18)7-8-17(2)15(19)14-9-13(14)11-3-5-12(16)6-4-11/h3-6,10,13-14,18H,7-9H2,1-2H3
InChIKeyOFWOKMKGHHSABX-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide (CID 111695531) is 2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide is CC(O)CCN(C)C(=O)C1CC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is OFWOKMKGHHSABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10(18)7-8-17(2)15(19)14-9-13(14)11-3-5-12(16)6-4-11/h3-6,10,13-14,18H,7-9H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide?
2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 111695531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).