(2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide

C18H20FN3O3 — CID 95173879

IUPAC(2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide
SMILESCc1ccc(F)cc1NC(=O)[C@H](C)Nc1cccc(NC(=O)CO)c1
InChIInChI=1S/C18H20FN3O3/c1-11-6-7-13(19)8-16(11)22-18(25)12(2)20-14-4-3-5-15(9-14)21-17(24)10-23/h3-9,12,20,23H,10H2,1-2H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKeyNAECJBMHZZWPPJ-LBPRGKRZSA-N
MW345.37 g/mol
LogP2.50
Rot. Bonds6

About (2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide

(2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide (PubChem CID 95173879) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide
PubChem CID95173879
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name(2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide
SMILESCc1ccc(F)cc1NC(=O)[C@H](C)Nc1cccc(NC(=O)CO)c1
InChIInChI=1S/C18H20FN3O3/c1-11-6-7-13(19)8-16(11)22-18(25)12(2)20-14-4-3-5-15(9-14)21-17(24)10-23/h3-9,12,20,23H,10H2,1-2H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKeyNAECJBMHZZWPPJ-LBPRGKRZSA-N
XLogP2.50
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide 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-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880177
N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide
CID 111121722
N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 75507032
(2S)-2-(3-acetamidoanilino)-N-(2-methylphenyl)propanamide
CID 25354903
N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide
CID 46667072
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
N-[3-[1-(4-fluorophenyl)propylamino]phenyl]-2-hydroxyacetamide
CID 56794102
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide
CID 40954484
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
(2R)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
CID 9097710

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide?
The IUPAC name of (2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide (CID 95173879) is (2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide.
What is the SMILES notation for (2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide?
The canonical SMILES for (2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide is Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1cccc(NC(=O)CO)c1.
What is the InChIKey of (2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide?
The InChIKey is NAECJBMHZZWPPJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-11-6-7-13(19)8-16(11)22-18(25)12(2)20-14-4-3-5-15(9-14)21-17(24)10-23/h3-9,12,20,23H,10H2,1-2H3,(H,21,24)(H,22,25)/t12-/m0/s1.
What are the key properties of (2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide?
(2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide has a molecular weight of 345.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide is sourced from PubChem (CID 95173879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).