N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide

C14H20FNO — CID 78770059

IUPACN-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-3-4-11(2)14(17)16-10-9-12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyYQHPDDSJHLCUOR-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide

N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide (PubChem CID 78770059) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
PubChem CID78770059
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-3-4-11(2)14(17)16-10-9-12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyYQHPDDSJHLCUOR-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide
CID 61218501
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 108531969
2-[2-(4-fluorophenyl)ethylcarbamoyl]-3-methylbutanoic acid
CID 115186267
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119263958
N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186683
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
CID 78778646
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide
CID 36505869
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 43112605

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide (CID 78770059) is N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide is CCCC(C)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide?
The InChIKey is YQHPDDSJHLCUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-4-11(2)14(17)16-10-9-12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide?
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide has a molecular weight of 237.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 78770059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).