2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide

C15H13N3O — CID 16782050

IUPAC2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C15H13N3O/c16-10-12-2-1-3-14(8-12)18-15(19)9-11-4-6-13(17)7-5-11/h1-8H,9,17H2,(H,18,19)
InChIKeyUQIYVUWWWDGBTE-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.32
Rot. Bonds3

About 2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide

2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide (PubChem CID 16782050) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
PubChem CID16782050
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C15H13N3O/c16-10-12-2-1-3-14(8-12)18-15(19)9-11-4-6-13(17)7-5-11/h1-8H,9,17H2,(H,18,19)
InChIKeyUQIYVUWWWDGBTE-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide 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

N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999
2-(4-cyanophenyl)-N-(3-hydroxyphenyl)acetamide
CID 103827428
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001924
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
2-[2-(3-cyanoanilino)-2-oxoethyl]benzoic acid
CID 53368897
[2-(3-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782584
1-(4-aminophenyl)-3-(3-cyanophenyl)-1-ethylurea
CID 63233699
2-[4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 32996968
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide (CID 16782050) is 2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)Cc2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide?
The InChIKey is UQIYVUWWWDGBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-10-12-2-1-3-14(8-12)18-15(19)9-11-4-6-13(17)7-5-11/h1-8H,9,17H2,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide?
2-(4-aminophenyl)-N-(3-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-(4-aminophenyl)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 16782050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).