2-amino-2-cyano-N-phenylacetamide

C9H9N3O — CID 53416420

IUPAC2-amino-2-cyano-N-phenylacetamide
SMILESN#CC(N)C(=O)Nc1ccccc1
InChIInChI=1S/C9H9N3O/c10-6-8(11)9(13)12-7-4-2-1-3-5-7/h1-5,8H,11H2,(H,12,13)
InChIKeyMAVMORRQHGQMGG-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.48
Rot. Bonds2

About 2-amino-2-cyano-N-phenylacetamide

2-amino-2-cyano-N-phenylacetamide (PubChem CID 53416420) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-amino-2-cyano-N-phenylacetamide.

Molecular Properties

Compound Name2-amino-2-cyano-N-phenylacetamide
PubChem CID53416420
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-amino-2-cyano-N-phenylacetamide
SMILESN#CC(N)C(=O)Nc1ccccc1
InChIInChI=1S/C9H9N3O/c10-6-8(11)9(13)12-7-4-2-1-3-5-7/h1-5,8H,11H2,(H,12,13)
InChIKeyMAVMORRQHGQMGG-UHFFFAOYSA-N
XLogP0.48
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(4-bromophenyl)-2-cyanoacetamide
CID 97104438
(2R)-2-amino-N-phenylpropanamide
CID 10607114
1-amino-2-anilino-2-oxoethanediazonium
CID 175021326
ethyl 3-anilino-2-cyano-3-oxopropanoate
CID 15707517
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
(2S)-2-cyano-3-(4-fluorophenyl)-3-oxo-N-phenylpropanamide
CID 98450143
2-cyano-5,5-dimethyl-3-oxo-N-phenylhexanamide
CID 47275627
2-cyano-5-hydroxy-3-oxo-N-phenylhexanamide
CID 54024914
2,3-dihydroxy-N-phenylpropanamide;hydrate
CID 141005572
(2R)-3-amino-2-hydroxy-N-phenylpropanamide
CID 91043258
2-amino-N-phenylbutanediamide;dihydrochloride
CID 70455433
N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide
CID 42959795

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyano-N-phenylacetamide?
The IUPAC name of 2-amino-2-cyano-N-phenylacetamide (CID 53416420) is 2-amino-2-cyano-N-phenylacetamide.
What is the SMILES notation for 2-amino-2-cyano-N-phenylacetamide?
The canonical SMILES for 2-amino-2-cyano-N-phenylacetamide is N#CC(N)C(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-2-cyano-N-phenylacetamide?
The InChIKey is MAVMORRQHGQMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-6-8(11)9(13)12-7-4-2-1-3-5-7/h1-5,8H,11H2,(H,12,13).
What are the key properties of 2-amino-2-cyano-N-phenylacetamide?
2-amino-2-cyano-N-phenylacetamide has a molecular weight of 175.19 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyano-N-phenylacetamide is sourced from PubChem (CID 53416420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).