3-(4-fluorophenyl)-N,4,4-trimethylpentanamide

C14H20FNO — CID 82083910

IUPAC3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
SMILESCNC(=O)CC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C14H20FNO/c1-14(2,3)12(9-13(17)16-4)10-5-7-11(15)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,17)
InChIKeyYEQLZVXRJWBFAU-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.09
Rot. Bonds3

About 3-(4-fluorophenyl)-N,4,4-trimethylpentanamide

3-(4-fluorophenyl)-N,4,4-trimethylpentanamide (PubChem CID 82083910) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N,4,4-trimethylpentanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
PubChem CID82083910
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
SMILESCNC(=O)CC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C14H20FNO/c1-14(2,3)12(9-13(17)16-4)10-5-7-11(15)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,17)
InChIKeyYEQLZVXRJWBFAU-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

Analyze 3-(4-fluorophenyl)-N,4,4-trimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-4,4-dimethylpentanamide
CID 82080473
3-(3-chlorophenyl)-N,4,4-trimethylpentanamide
CID 82088364
(3R)-4-hydroxy-N,4-dimethyl-3-phenylpentanamide
CID 10656608
3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide
CID 82080009
3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide
CID 150728986
2-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 138627524
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
CID 61249393
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-(methylamino)propanamide
CID 62637670
3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide
CID 66666347
1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene
CID 21304853
(3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide
CID 158718442

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N,4,4-trimethylpentanamide?
The IUPAC name of 3-(4-fluorophenyl)-N,4,4-trimethylpentanamide (CID 82083910) is 3-(4-fluorophenyl)-N,4,4-trimethylpentanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N,4,4-trimethylpentanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N,4,4-trimethylpentanamide is CNC(=O)CC(c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of 3-(4-fluorophenyl)-N,4,4-trimethylpentanamide?
The InChIKey is YEQLZVXRJWBFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2,3)12(9-13(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 3-(4-fluorophenyl)-N,4,4-trimethylpentanamide?
3-(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 3-(4-fluorophenyl)-N,4,4-trimethylpentanamide is sourced from PubChem (CID 82083910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).