4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide

C13H18F2N2O — CID 82819149

IUPAC4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide
SMILESCc1ccc(F)c(NC(=O)CCC(C)(C)N)c1F
InChIInChI=1S/C13H18F2N2O/c1-8-4-5-9(14)12(11(8)15)17-10(18)6-7-13(2,3)16/h4-5H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyWQLGGLLRORFLOV-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.73
Rot. Bonds4

About 4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide

4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide (PubChem CID 82819149) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide
PubChem CID82819149
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide
SMILESCc1ccc(F)c(NC(=O)CCC(C)(C)N)c1F
InChIInChI=1S/C13H18F2N2O/c1-8-4-5-9(14)12(11(8)15)17-10(18)6-7-13(2,3)16/h4-5H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyWQLGGLLRORFLOV-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide 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-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide
CID 82819991
N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072
3-(2,6-difluoro-3-methylanilino)-3-oxopropanoic acid
CID 82820377
3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82818657
2-(2-aminoethoxy)-N-(2,6-difluoro-3-methylphenyl)acetamide
CID 82817938
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 65491474
3-(2,6-difluoro-3-methylanilino)propanamide
CID 82818003
N-(2,6-difluoro-3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 82817941
3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide
CID 82801709
3-amino-N-(2,6-difluorophenyl)-3-methylbutanamide
CID 64684364
4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide
CID 115157504
N-(2,6-difluoro-3-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 82819723

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide?
The IUPAC name of 4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide (CID 82819149) is 4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide?
The canonical SMILES for 4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide is Cc1ccc(F)c(NC(=O)CCC(C)(C)N)c1F.
What is the InChIKey of 4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide?
The InChIKey is WQLGGLLRORFLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8-4-5-9(14)12(11(8)15)17-10(18)6-7-13(2,3)16/h4-5H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide?
4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide has a molecular weight of 256.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide is sourced from PubChem (CID 82819149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).