(2-aminophenyl)cyanamide

C7H7N3 — CID 23459373

IUPAC(2-aminophenyl)cyanamide
SMILESN#CNc1ccccc1N
InChIInChI=1S/C7H7N3/c8-5-10-7-4-2-1-3-6(7)9/h1-4,10H,9H2
InChIKeyFGGPJHXGBZNABQ-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.16
Rot. Bonds1

About (2-aminophenyl)cyanamide

(2-aminophenyl)cyanamide (PubChem CID 23459373) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (2-aminophenyl)cyanamide.

Molecular Properties

Compound Name(2-aminophenyl)cyanamide
PubChem CID23459373
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name(2-aminophenyl)cyanamide
SMILESN#CNc1ccccc1N
InChIInChI=1S/C7H7N3/c8-5-10-7-4-2-1-3-6(7)9/h1-4,10H,9H2
InChIKeyFGGPJHXGBZNABQ-UHFFFAOYSA-N
XLogP1.16
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

O-Phenylenediamine
CID 7243
N-Phenyl-o-phenylenediamine
CID 68297
1,2-Ethanediamine, N1-phenyl-
CID 74270
1,2-Benzenediamine, N1,N1,N2,N2-tetramethyl-
CID 12803
N-Methyl-o-phenylenediamine dihydrochloride
CID 91296
N-(2-aminophenyl)-N-cyclohexylamine
CID 1517328
2-(Pyrrolidin-1-yl)aniline
CID 937501
1,2-Benzenediamine, N1,N1-dimethyl-
CID 76083
N1-propylbenzene-1,2-diamine
CID 4962638
Phenylcyanamide
CID 69318
N1,N1,N2-trimethylbenzene-1,2-diamine
CID 533455
1-N-(propan-2-yl)benzene-1,2-diamine
CID 10558787

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)cyanamide?
The IUPAC name of (2-aminophenyl)cyanamide (CID 23459373) is (2-aminophenyl)cyanamide.
What is the SMILES notation for (2-aminophenyl)cyanamide?
The canonical SMILES for (2-aminophenyl)cyanamide is N#CNc1ccccc1N.
What is the InChIKey of (2-aminophenyl)cyanamide?
The InChIKey is FGGPJHXGBZNABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c8-5-10-7-4-2-1-3-6(7)9/h1-4,10H,9H2.
What are the key properties of (2-aminophenyl)cyanamide?
(2-aminophenyl)cyanamide has a molecular weight of 133.15 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)cyanamide is sourced from PubChem (CID 23459373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).