(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide

C15H12ClN3O — CID 61149344

IUPAC(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide
SMILESN#Cc1ccc(NC(=O)[C@H](N)c2ccccc2)cc1Cl
InChIInChI=1S/C15H12ClN3O/c16-13-8-12(7-6-11(13)9-17)19-15(20)14(18)10-4-2-1-3-5-10/h1-8,14H,18H2,(H,19,20)/t14-/m1/s1
InChIKeyLVWMRSZAGFHVBN-CQSZACIVSA-N
MW285.73 g/mol
LogP2.85
Rot. Bonds3

About (2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide

(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide (PubChem CID 61149344) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide
PubChem CID61149344
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide
SMILESN#Cc1ccc(NC(=O)[C@H](N)c2ccccc2)cc1Cl
InChIInChI=1S/C15H12ClN3O/c16-13-8-12(7-6-11(13)9-17)19-15(20)14(18)10-4-2-1-3-5-10/h1-8,14H,18H2,(H,19,20)/t14-/m1/s1
InChIKeyLVWMRSZAGFHVBN-CQSZACIVSA-N
XLogP2.85
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-chloro-4-cyanophenyl)-3,3-dimethylbutanamide
CID 61149342
4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
CID 104897353
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
CID 104897291
2-amino-N-(4-chlorophenyl)-2-phenylacetamide
CID 24702199
2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide
CID 106590860
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
benzyl-[(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274779
N-(3-chloro-4-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741182
3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid
CID 103868733
N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 18191756
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227700
4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide (CID 61149344) is (2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide is N#Cc1ccc(NC(=O)[C@H](N)c2ccccc2)cc1Cl.
What is the InChIKey of (2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide?
The InChIKey is LVWMRSZAGFHVBN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-13-8-12(7-6-11(13)9-17)19-15(20)14(18)10-4-2-1-3-5-10/h1-8,14H,18H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide?
(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide has a molecular weight of 285.73 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide is sourced from PubChem (CID 61149344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).