N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide

C19H30FNO — CID 71199172

IUPACN-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide
SMILESCCC(CC)N(C(=O)CC(C)(C)CC)c1ccc(F)c(C)c1
InChIInChI=1S/C19H30FNO/c1-7-15(8-2)21(18(22)13-19(5,6)9-3)16-10-11-17(20)14(4)12-16/h10-12,15H,7-9,13H2,1-6H3
InChIKeyXCUQFZIBRHDJFV-UHFFFAOYSA-N
MW307.45 g/mol
LogP5.48
Rot. Bonds7

About N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide

N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide (PubChem CID 71199172) has the molecular formula C19H30FNO and a molecular weight of 307.45 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide
PubChem CID71199172
Molecular FormulaC19H30FNO
Molecular Weight307.45 g/mol
Exact Mass307.23
IUPAC NameN-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide
SMILESCCC(CC)N(C(=O)CC(C)(C)CC)c1ccc(F)c(C)c1
InChIInChI=1S/C19H30FNO/c1-7-15(8-2)21(18(22)13-19(5,6)9-3)16-10-11-17(20)14(4)12-16/h10-12,15H,7-9,13H2,1-6H3
InChIKeyXCUQFZIBRHDJFV-UHFFFAOYSA-N
XLogP5.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.45
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide 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

N-butan-2-yl-N-(4-fluoro-3-methylphenyl)-2,2-dimethylbut-3-enamide
CID 142120872
3,3-dimethyl-N-(3-methylphenyl)-N-pentan-3-ylbutanamide
CID 18735669
N-(3-ethyl-4-fluorophenyl)-N-pentan-3-ylbutanamide
CID 71106690
4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 63212442
N-(3-chloro-4-fluorophenyl)-N-pentan-3-ylbutanamide
CID 71107591
N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide
CID 71107637
4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide
CID 63213062
2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide
CID 115186879
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79801294
4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide
CID 115156948
N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide
CID 142120576
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide (CID 71199172) is N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide is CCC(CC)N(C(=O)CC(C)(C)CC)c1ccc(F)c(C)c1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide?
The InChIKey is XCUQFZIBRHDJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO/c1-7-15(8-2)21(18(22)13-19(5,6)9-3)16-10-11-17(20)14(4)12-16/h10-12,15H,7-9,13H2,1-6H3.
What are the key properties of N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide?
N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide has a molecular weight of 307.45 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-pentan-3-ylpentanamide is sourced from PubChem (CID 71199172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).