N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide

C19H22FNO — CID 166453469

IUPACN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
SMILESCC(C)(C)CC(NC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO/c1-19(2,3)13-17(14-9-11-16(20)12-10-14)21-18(22)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,21,22)
InChIKeyWWOFHBUVXIELIO-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.73
Rot. Bonds4

About N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide

N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide (PubChem CID 166453469) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
PubChem CID166453469
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC NameN-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
SMILESCC(C)(C)CC(NC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO/c1-19(2,3)13-17(14-9-11-16(20)12-10-14)21-18(22)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,21,22)
InChIKeyWWOFHBUVXIELIO-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide 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

(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide
CID 55751531
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide
CID 101454749
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
5-bromo-N-(3,3-dimethyl-1-phenylbutyl)thiophene-3-carboxamide
CID 63524050
N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide
CID 60518469
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 46647738
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide (CID 166453469) is N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide is CC(C)(C)CC(NC(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide?
The InChIKey is WWOFHBUVXIELIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-19(2,3)13-17(14-9-11-16(20)12-10-14)21-18(22)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide?
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide has a molecular weight of 299.39 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide is sourced from PubChem (CID 166453469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).