(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide

C17H19FN2O2 — CID 51981788

IUPAC(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
SMILESCOc1ccc(CN(C)[C@H](C(N)=O)c2ccccc2)cc1F
InChIInChI=1S/C17H19FN2O2/c1-20(11-12-8-9-15(22-2)14(18)10-12)16(17(19)21)13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3,(H2,19,21)/t16-/m0/s1
InChIKeyJEGQBTFWGBMNSR-INIZCTEOSA-N
MW302.35 g/mol
LogP2.49
Rot. Bonds6

About (2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide

(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide (PubChem CID 51981788) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
PubChem CID51981788
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
SMILESCOc1ccc(CN(C)[C@H](C(N)=O)c2ccccc2)cc1F
InChIInChI=1S/C17H19FN2O2/c1-20(11-12-8-9-15(22-2)14(18)10-12)16(17(19)21)13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3,(H2,19,21)/t16-/m0/s1
InChIKeyJEGQBTFWGBMNSR-INIZCTEOSA-N
XLogP2.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide 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-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
(2S)-N-benzhydryl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 9432288
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78795725
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]butan-2-one
CID 62023874
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
(2S)-N-carbamoyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 8681047
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 18088306
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]but-3-enoic acid
CID 114242420
(2R)-2-(4-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 31882368
2-(3-fluorophenyl)-2-[methyl-[(4-phenylphenyl)methyl]amino]acetamide
CID 86886828
2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
CID 110009403

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide (CID 51981788) is (2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide is COc1ccc(CN(C)[C@H](C(N)=O)c2ccccc2)cc1F.
What is the InChIKey of (2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide?
The InChIKey is JEGQBTFWGBMNSR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-20(11-12-8-9-15(22-2)14(18)10-12)16(17(19)21)13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3,(H2,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide?
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide has a molecular weight of 302.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide is sourced from PubChem (CID 51981788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).