N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide

C18H26FNO — CID 78853629

IUPACN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
SMILESCCC(C)C(=O)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C18H26FNO/c1-3-14(2)18(21)20(17-6-4-5-7-17)13-12-15-8-10-16(19)11-9-15/h8-11,14,17H,3-7,12-13H2,1-2H3
InChIKeyKYWFXHMAPZCDKH-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.19
Rot. Bonds6

About N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide (PubChem CID 78853629) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
PubChem CID78853629
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
SMILESCCC(C)C(=O)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C18H26FNO/c1-3-14(2)18(21)20(17-6-4-5-7-17)13-12-15-8-10-16(19)11-9-15/h8-11,14,17H,3-7,12-13H2,1-2H3
InChIKeyKYWFXHMAPZCDKH-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide?
The IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide (CID 78853629) is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide?
The canonical SMILES for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide is CCC(C)C(=O)N(CCc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide?
The InChIKey is KYWFXHMAPZCDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-3-14(2)18(21)20(17-6-4-5-7-17)13-12-15-8-10-16(19)11-9-15/h8-11,14,17H,3-7,12-13H2,1-2H3.
What are the key properties of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide?
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide has a molecular weight of 291.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 78853629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).