N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide

C15H20FNO — CID 110415928

IUPACN-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCCCCN(C)C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C15H20FNO/c1-3-4-11-17(2)14(18)15(9-10-15)12-7-5-6-8-13(12)16/h5-8H,3-4,9-11H2,1-2H3
InChIKeyWMQUSIAIOILJEQ-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.12
Rot. Bonds5

About N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide

N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 110415928) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID110415928
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCCCCN(C)C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C15H20FNO/c1-3-4-11-17(2)14(18)15(9-10-15)12-7-5-6-8-13(12)16/h5-8H,3-4,9-11H2,1-2H3
InChIKeyWMQUSIAIOILJEQ-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide
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N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide
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N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide (CID 110415928) is N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide is CCCCN(C)C(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is WMQUSIAIOILJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-3-4-11-17(2)14(18)15(9-10-15)12-7-5-6-8-13(12)16/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 249.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 110415928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).