2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide

C15H13N3O — CID 16781296

IUPAC2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1ccccc1N
InChIInChI=1S/C15H13N3O/c16-10-12-6-2-4-8-14(12)18-15(19)9-11-5-1-3-7-13(11)17/h1-8H,9,17H2,(H,18,19)
InChIKeyMDFSGTAJPHWXBQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.32
Rot. Bonds3

About 2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide

2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide (PubChem CID 16781296) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide
PubChem CID16781296
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1ccccc1N
InChIInChI=1S/C15H13N3O/c16-10-12-6-2-4-8-14(12)18-15(19)9-11-5-1-3-7-13(11)17/h1-8H,9,17H2,(H,18,19)
InChIKeyMDFSGTAJPHWXBQ-UHFFFAOYSA-N
XLogP2.32
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107021013
(2-cyanophenyl)urea
CID 13155570
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
2-(2-aminophenyl)-N-(2,3-dimethylphenyl)acetamide
CID 16794842
(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
ethyl 3-(2-cyanoanilino)-3-oxopropanoate
CID 14663489
2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide
CID 41340467
N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686435

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide (CID 16781296) is 2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide is N#Cc1ccccc1NC(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide?
The InChIKey is MDFSGTAJPHWXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-10-12-6-2-4-8-14(12)18-15(19)9-11-5-1-3-7-13(11)17/h1-8H,9,17H2,(H,18,19).
What are the key properties of 2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide?
2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide has a molecular weight of 251.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 16781296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).