2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide

C16H16N4O — CID 60875913

IUPAC2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide
SMILESN#Cc1ccc(N(CC(N)=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C16H16N4O/c17-9-12-3-7-15(8-4-12)20(11-16(19)21)10-13-1-5-14(18)6-2-13/h1-8H,10-11,18H2,(H2,19,21)
InChIKeyGIHMLPJDFBRPKC-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.63
Rot. Bonds5

About 2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide

2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide (PubChem CID 60875913) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide.

Molecular Properties

Compound Name2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide
PubChem CID60875913
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide
SMILESN#Cc1ccc(N(CC(N)=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C16H16N4O/c17-9-12-3-7-15(8-4-12)20(11-16(19)21)10-13-1-5-14(18)6-2-13/h1-8H,10-11,18H2,(H2,19,21)
InChIKeyGIHMLPJDFBRPKC-UHFFFAOYSA-N
XLogP1.63
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide
CID 80515581
2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942559
4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 133384325
4-[(4-amino-N-ethylanilino)methyl]benzamide
CID 63233885
2-[N-(2-amino-2-oxoethyl)-4-(hydroxymethyl)anilino]acetamide
CID 62923495
4-amino(13C)benzonitrile
CID 10080388
2-[(4-aminophenyl)methyl-(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetamide
CID 60876095
1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea
CID 28894609
2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
CID 65253078
2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide
CID 113181175
2-[(4-aminophenyl)methyl-(3-chloro-4-pyridinyl)amino]acetamide
CID 79841121
N',N'-bis(4-cyanophenyl)pentanediamide
CID 68500230

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide?
The IUPAC name of 2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide (CID 60875913) is 2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide.
What is the SMILES notation for 2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide?
The canonical SMILES for 2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide is N#Cc1ccc(N(CC(N)=O)Cc2ccc(N)cc2)cc1.
What is the InChIKey of 2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide?
The InChIKey is GIHMLPJDFBRPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-9-12-3-7-15(8-4-12)20(11-16(19)21)10-13-1-5-14(18)6-2-13/h1-8H,10-11,18H2,(H2,19,21).
What are the key properties of 2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide?
2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide has a molecular weight of 280.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(4-aminophenyl)methyl]-4-cyanoanilino]acetamide is sourced from PubChem (CID 60875913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).