2-(4-fluorophenyl)-N,4,4-trimethylpentanamide

C14H20FNO — CID 138627524

IUPAC2-(4-fluorophenyl)-N,4,4-trimethylpentanamide
SMILESCNC(=O)C(CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-14(2,3)9-12(13(17)16-4)10-5-7-11(15)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,17)
InChIKeyFEHDDCCMMHCOJA-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.09
Rot. Bonds3

About 2-(4-fluorophenyl)-N,4,4-trimethylpentanamide

2-(4-fluorophenyl)-N,4,4-trimethylpentanamide (PubChem CID 138627524) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,4,4-trimethylpentanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,4,4-trimethylpentanamide
PubChem CID138627524
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-(4-fluorophenyl)-N,4,4-trimethylpentanamide
SMILESCNC(=O)C(CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-14(2,3)9-12(13(17)16-4)10-5-7-11(15)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,17)
InChIKeyFEHDDCCMMHCOJA-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-N-methyl-3-(methylamino)propanamide
CID 147045544
2-chloro-2-(4-fluorophenyl)-N-methylacetamide
CID 10352801
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724736
2-(4-fluorophenyl)-5,5-dimethylhexanoic acid
CID 79434707
2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide
CID 107472487
3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 82083910
1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene
CID 157107563
2-(4-fluoroanilino)-4,4-dimethylpentanamide
CID 55156388
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
N-methyl-2-(4-methylphenyl)butanamide
CID 177273297
1-(ethylamino)-2-(4-fluorophenyl)-4,4-dimethylpentan-3-one
CID 59670824

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,4,4-trimethylpentanamide?
The IUPAC name of 2-(4-fluorophenyl)-N,4,4-trimethylpentanamide (CID 138627524) is 2-(4-fluorophenyl)-N,4,4-trimethylpentanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N,4,4-trimethylpentanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N,4,4-trimethylpentanamide is CNC(=O)C(CC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N,4,4-trimethylpentanamide?
The InChIKey is FEHDDCCMMHCOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2,3)9-12(13(17)16-4)10-5-7-11(15)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,17).
What are the key properties of 2-(4-fluorophenyl)-N,4,4-trimethylpentanamide?
2-(4-fluorophenyl)-N,4,4-trimethylpentanamide has a molecular weight of 237.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,4,4-trimethylpentanamide is sourced from PubChem (CID 138627524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).