(2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide

C15H12FN3O — CID 104898247

IUPAC(2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide
SMILESN#Cc1ccc(NC(=O)[C@@H](N)c2ccccc2)c(F)c1
InChIInChI=1S/C15H12FN3O/c16-12-8-10(9-17)6-7-13(12)19-15(20)14(18)11-4-2-1-3-5-11/h1-8,14H,18H2,(H,19,20)/t14-/m0/s1
InChIKeyIKBJRLWLZRFWQF-AWEZNQCLSA-N
MW269.28 g/mol
LogP2.34
Rot. Bonds3

About (2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide

(2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide (PubChem CID 104898247) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide
PubChem CID104898247
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name(2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide
SMILESN#Cc1ccc(NC(=O)[C@@H](N)c2ccccc2)c(F)c1
InChIInChI=1S/C15H12FN3O/c16-12-8-10(9-17)6-7-13(12)19-15(20)14(18)11-4-2-1-3-5-11/h1-8,14H,18H2,(H,19,20)/t14-/m0/s1
InChIKeyIKBJRLWLZRFWQF-AWEZNQCLSA-N
XLogP2.34
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
[(2S)-1-(4-cyano-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 91510613
(2S,3S)-2-amino-N-(4-ethynyl-2-fluorophenyl)-3-phenylbutanamide
CID 87653191
5-amino-N-(4-cyano-2-fluorophenyl)-2-methylpentanamide
CID 104685438
2-amino-N-(2,3-difluorophenyl)-2-phenylacetamide
CID 61077017
tert-butyl 4-[[(2S)-2-amino-2-phenylacetyl]amino]-3-fluorobenzoate
CID 156803526
2-amino-N-(2-chloro-4-fluorophenyl)-2-phenylacetamide
CID 43150560
2-(4-cyano-2-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 99637714
2-(4-cyano-2-fluoroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 99637713
N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
CID 107688649
(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2-phenylacetamide
CID 104898467
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 107592317

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide (CID 104898247) is (2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide is N#Cc1ccc(NC(=O)[C@@H](N)c2ccccc2)c(F)c1.
What is the InChIKey of (2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide?
The InChIKey is IKBJRLWLZRFWQF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-8-10(9-17)6-7-13(12)19-15(20)14(18)11-4-2-1-3-5-11/h1-8,14H,18H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide?
(2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide has a molecular weight of 269.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-cyano-2-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 104898247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).