N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide

C15H20FNO — CID 91410350

IUPACN-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
SMILESCCN(Cc1ccc(F)cc1)C(=O)C1CCCC1
InChIInChI=1S/C15H20FNO/c1-2-17(15(18)13-5-3-4-6-13)11-12-7-9-14(16)10-8-12/h7-10,13H,2-6,11H2,1H3
InChIKeyKNFGPJRMPKSBRY-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.36
Rot. Bonds4

About N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide

N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide (PubChem CID 91410350) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
PubChem CID91410350
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
SMILESCCN(Cc1ccc(F)cc1)C(=O)C1CCCC1
InChIInChI=1S/C15H20FNO/c1-2-17(15(18)13-5-3-4-6-13)11-12-7-9-14(16)10-8-12/h7-10,13H,2-6,11H2,1H3
InChIKeyKNFGPJRMPKSBRY-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide (CID 91410350) is N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide is CCN(Cc1ccc(F)cc1)C(=O)C1CCCC1.
What is the InChIKey of N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide?
The InChIKey is KNFGPJRMPKSBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-2-17(15(18)13-5-3-4-6-13)11-12-7-9-14(16)10-8-12/h7-10,13H,2-6,11H2,1H3.
What are the key properties of N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide?
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide has a molecular weight of 249.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 91410350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).