(2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide

C17H19FN2O2 — CID 169094133

IUPAC(2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide
SMILESC[C@@H](C(=O)N(C)Cc1ccc(F)cc1)N(O)c1ccccc1
InChIInChI=1S/C17H19FN2O2/c1-13(20(22)16-6-4-3-5-7-16)17(21)19(2)12-14-8-10-15(18)11-9-14/h3-11,13,22H,12H2,1-2H3/t13-/m0/s1
InChIKeyAGFOUGXJQBUUAE-ZDUSSCGKSA-N
MW302.35 g/mol
LogP3.07
Rot. Bonds5

About (2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide

(2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide (PubChem CID 169094133) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide
PubChem CID169094133
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide
SMILESC[C@@H](C(=O)N(C)Cc1ccc(F)cc1)N(O)c1ccccc1
InChIInChI=1S/C17H19FN2O2/c1-13(20(22)16-6-4-3-5-7-16)17(21)19(2)12-14-8-10-15(18)11-9-14/h3-11,13,22H,12H2,1-2H3/t13-/m0/s1
InChIKeyAGFOUGXJQBUUAE-ZDUSSCGKSA-N
XLogP3.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide 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

(2R)-N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylpropanamide
CID 124598211
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119268141
N-[(4-fluorophenyl)methyl]-N,3-dimethyl-2-sulfanylbutanamide
CID 107024227
(2R)-N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 30388969
N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 43905083
2-[(4-fluorophenyl)methyl-methylamino]propanoic acid
CID 61413497
2-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 71756991
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78771203
(2S)-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 55942559
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide?
The IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide (CID 169094133) is (2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide.
What is the SMILES notation for (2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide?
The canonical SMILES for (2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide is C[C@@H](C(=O)N(C)Cc1ccc(F)cc1)N(O)c1ccccc1.
What is the InChIKey of (2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide?
The InChIKey is AGFOUGXJQBUUAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-13(20(22)16-6-4-3-5-7-16)17(21)19(2)12-14-8-10-15(18)11-9-14/h3-11,13,22H,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide?
(2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide has a molecular weight of 302.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-fluorophenyl)methyl]-2-(N-hydroxyanilino)-N-methylpropanamide is sourced from PubChem (CID 169094133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).