4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide

C18H18F2N2O3 — CID 96549083

IUPAC4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H18F2N2O3/c1-11(23)22-14-6-3-12(4-7-14)17(24)21-10-18(2,25)15-8-5-13(19)9-16(15)20/h3-9,25H,10H2,1-2H3,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKeyKOTFBQVHNJXZKN-GOSISDBHSA-N
MW348.35 g/mol
LogP2.56
Rot. Bonds5

About 4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide

4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide (PubChem CID 96549083) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
PubChem CID96549083
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H18F2N2O3/c1-11(23)22-14-6-3-12(4-7-14)17(24)21-10-18(2,25)15-8-5-13(19)9-16(15)20/h3-9,25H,10H2,1-2H3,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKeyKOTFBQVHNJXZKN-GOSISDBHSA-N
XLogP2.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide 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-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide
CID 111335508
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide
CID 110014829
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 95320611
1-tert-butyl-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]pyrazole-4-carboxamide
CID 95627810
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide
CID 111335304
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
3-[(4-acetamidobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174171
(2S)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methyl-3-methylsulfanylpropanamide
CID 96549103
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
CID 111335598
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide
CID 111335295
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 95627816

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide?
The IUPAC name of 4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide (CID 96549083) is 4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide?
The canonical SMILES for 4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide is CC(=O)Nc1ccc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide?
The InChIKey is KOTFBQVHNJXZKN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-11(23)22-14-6-3-12(4-7-14)17(24)21-10-18(2,25)15-8-5-13(19)9-16(15)20/h3-9,25H,10H2,1-2H3,(H,21,24)(H,22,23)/t18-/m1/s1.
What are the key properties of 4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide?
4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 96549083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).