2-(4-fluoro-2-methoxyanilino)butanamide

C11H15FN2O2 — CID 62900802

IUPAC2-(4-fluoro-2-methoxyanilino)butanamide
SMILESCCC(Nc1ccc(F)cc1OC)C(N)=O
InChIInChI=1S/C11H15FN2O2/c1-3-8(11(13)15)14-9-5-4-7(12)6-10(9)16-2/h4-6,8,14H,3H2,1-2H3,(H2,13,15)
InChIKeyHNULPLRAJHAJFT-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.51
Rot. Bonds5

About 2-(4-fluoro-2-methoxyanilino)butanamide

2-(4-fluoro-2-methoxyanilino)butanamide (PubChem CID 62900802) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyanilino)butanamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyanilino)butanamide
PubChem CID62900802
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-(4-fluoro-2-methoxyanilino)butanamide
SMILESCCC(Nc1ccc(F)cc1OC)C(N)=O
InChIInChI=1S/C11H15FN2O2/c1-3-8(11(13)15)14-9-5-4-7(12)6-10(9)16-2/h4-6,8,14H,3H2,1-2H3,(H2,13,15)
InChIKeyHNULPLRAJHAJFT-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluoro-2-methoxyanilino)butanamide 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-(4-fluoro-2-methoxyanilino)propanamide
CID 47165201
2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
CID 103245523
2-(4-chloro-2-methoxy-5-methylanilino)butanamide
CID 55133159
2-(2,4-dibromo-5-methoxyanilino)butanamide
CID 103413422
2-(2-ethoxyanilino)butanamide
CID 62900399
2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
CID 103245512
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
CID 60961963
N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline
CID 64918639
ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
CID 54967859
2-(5-methoxy-2-methylanilino)butanamide
CID 167770796
butyl 2-(4-fluoro-2-methoxyanilino)acetate
CID 54968572
methyl 2-acetamido-3-(4-fluoro-2-methoxyanilino)propanoate
CID 103245525

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyanilino)butanamide?
The IUPAC name of 2-(4-fluoro-2-methoxyanilino)butanamide (CID 62900802) is 2-(4-fluoro-2-methoxyanilino)butanamide.
What is the SMILES notation for 2-(4-fluoro-2-methoxyanilino)butanamide?
The canonical SMILES for 2-(4-fluoro-2-methoxyanilino)butanamide is CCC(Nc1ccc(F)cc1OC)C(N)=O.
What is the InChIKey of 2-(4-fluoro-2-methoxyanilino)butanamide?
The InChIKey is HNULPLRAJHAJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-3-8(11(13)15)14-9-5-4-7(12)6-10(9)16-2/h4-6,8,14H,3H2,1-2H3,(H2,13,15).
What are the key properties of 2-(4-fluoro-2-methoxyanilino)butanamide?
2-(4-fluoro-2-methoxyanilino)butanamide has a molecular weight of 226.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyanilino)butanamide is sourced from PubChem (CID 62900802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).