N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide

C14H20FNO — CID 132962553

IUPACN-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-4-14(2,3)13(17)16-10-9-11-5-7-12(15)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyMBQYGABNXMNSJW-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide

N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide (PubChem CID 132962553) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
PubChem CID132962553
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-4-14(2,3)13(17)16-10-9-11-5-7-12(15)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyMBQYGABNXMNSJW-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

Analyze N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide 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

2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
CID 113270004
2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510
3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide
CID 65265022
N-[2-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111230275
1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 110754997
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
2,2-dimethyl-N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]butanamide
CID 163857396
2,2-diethyl-4-[2-(4-fluorophenyl)ethylamino]-4-oxobutanoic acid
CID 43397364
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517
N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108963223

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide (CID 132962553) is N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide?
The InChIKey is MBQYGABNXMNSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-14(2,3)13(17)16-10-9-11-5-7-12(15)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide?
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide has a molecular weight of 237.32 g/mol, XLogP of 2.92, 5 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]-2,2-dimethylbutanamide is sourced from PubChem (CID 132962553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).