2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide

C15H24FN3O — CID 79796549

IUPAC2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C15H24FN3O/c1-6-15(4,17)14(20)18-11-7-8-13(12(16)9-11)19(5)10(2)3/h7-10H,6,17H2,1-5H3,(H,18,20)
InChIKeyWLENLNKTFNRRKI-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.74
Rot. Bonds5

About 2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide

2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide (PubChem CID 79796549) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
PubChem CID79796549
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC Name2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C15H24FN3O/c1-6-15(4,17)14(20)18-11-7-8-13(12(16)9-11)19(5)10(2)3/h7-10H,6,17H2,1-5H3,(H,18,20)
InChIKeyWLENLNKTFNRRKI-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide 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

ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 61063654
2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide
CID 79797233
2,2,2-trifluoroethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 65168946
(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide
CID 61173891
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926029
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide
CID 79200604
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 110894229
2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]butanoic acid
CID 115352494
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453091
2-[2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-2-oxoethoxy]acetic acid
CID 61327848
2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79804762
N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide
CID 79796992

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide (CID 79796549) is 2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide is CCC(C)(N)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1.
What is the InChIKey of 2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide?
The InChIKey is WLENLNKTFNRRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-6-15(4,17)14(20)18-11-7-8-13(12(16)9-11)19(5)10(2)3/h7-10H,6,17H2,1-5H3,(H,18,20).
What are the key properties of 2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide?
2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide has a molecular weight of 281.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide is sourced from PubChem (CID 79796549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).