3-(cyanoamino)benzamide

C8H7N3O — CID 19926828

IUPAC3-(cyanoamino)benzamide
SMILESN#CNc1cccc(C(N)=O)c1
InChIInChI=1S/C8H7N3O/c9-5-11-7-3-1-2-6(4-7)8(10)12/h1-4,11H,(H2,10,12)
InChIKeyDVEYVQMLXDJFGE-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.68
Rot. Bonds2

About 3-(cyanoamino)benzamide

3-(cyanoamino)benzamide (PubChem CID 19926828) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-(cyanoamino)benzamide.

Molecular Properties

Compound Name3-(cyanoamino)benzamide
PubChem CID19926828
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-(cyanoamino)benzamide
SMILESN#CNc1cccc(C(N)=O)c1
InChIInChI=1S/C8H7N3O/c9-5-11-7-3-1-2-6(4-7)8(10)12/h1-4,11H,(H2,10,12)
InChIKeyDVEYVQMLXDJFGE-UHFFFAOYSA-N
XLogP0.68
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(cyanoamino)benzoate
CID 130015353
3-(methylamino)benzamide
CID 18727714
3-hydrazinylbenzamide;hydrochloride
CID 90487444
ethane;3-(methylamino)benzamide
CID 142071023
3-[(6-cyano-2-pyridinyl)amino]benzamide
CID 107811342
methyl (Z)-3-(3-carbamoylanilino)-2-cyanoprop-2-enoate
CID 26160657
3-(sulfamoylamino)benzamide
CID 57051238
3-(trifluoromethylamino)benzamide
CID 150882306
CID 153486649
CID 153486649
3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
CID 51246637
3-(3-bromo-2-cyanoanilino)benzamide
CID 107811349
3-(methanesulfinamido)benzamide
CID 169217991

Frequently Asked Questions

What is the IUPAC name of 3-(cyanoamino)benzamide?
The IUPAC name of 3-(cyanoamino)benzamide (CID 19926828) is 3-(cyanoamino)benzamide.
What is the SMILES notation for 3-(cyanoamino)benzamide?
The canonical SMILES for 3-(cyanoamino)benzamide is N#CNc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(cyanoamino)benzamide?
The InChIKey is DVEYVQMLXDJFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-5-11-7-3-1-2-6(4-7)8(10)12/h1-4,11H,(H2,10,12).
What are the key properties of 3-(cyanoamino)benzamide?
3-(cyanoamino)benzamide has a molecular weight of 161.16 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanoamino)benzamide is sourced from PubChem (CID 19926828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).