2-methanimidoylbenzamide

C8H8N2O — CID 123272130

IUPAC2-methanimidoylbenzamide
SMILES[H]/N=C/c1ccccc1C(N)=O
InChIInChI=1S/C8H8N2O/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5,9H,(H2,10,11)/b9-5+
InChIKeyYMAYJWAJKZUMOJ-WEVVVXLNSA-N
MW148.16 g/mol
LogP0.78
Rot. Bonds2

About 2-methanimidoylbenzamide

2-methanimidoylbenzamide (PubChem CID 123272130) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-methanimidoylbenzamide.

Molecular Properties

Compound Name2-methanimidoylbenzamide
PubChem CID123272130
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-methanimidoylbenzamide
SMILES[H]/N=C/c1ccccc1C(N)=O
InChIInChI=1S/C8H8N2O/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5,9H,(H2,10,11)/b9-5+
InChIKeyYMAYJWAJKZUMOJ-WEVVVXLNSA-N
XLogP0.78
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dibromoethenyl)benzamide
CID 10470333
[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
CID 102396811
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 69287667
2-(2-cyanoethenyl)benzamide
CID 131884772
methyl 4-(2-carbamoylphenyl)but-3-enoate
CID 170501975
N-(2-methanimidoylphenyl)hydroxylamine
CID 143516633
2-[2-[2-[(2-methanimidoylbenzoyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139516888
benzene;2-hydroxybenzamide
CID 157085280
2-oxaldehydoylbenzamide
CID 146295366
cobalt;ethane;bis(2-hydroxybenzamide)
CID 158340960

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoylbenzamide?
The IUPAC name of 2-methanimidoylbenzamide (CID 123272130) is 2-methanimidoylbenzamide.
What is the SMILES notation for 2-methanimidoylbenzamide?
The canonical SMILES for 2-methanimidoylbenzamide is [H]/N=C/c1ccccc1C(N)=O.
What is the InChIKey of 2-methanimidoylbenzamide?
The InChIKey is YMAYJWAJKZUMOJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H8N2O/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5,9H,(H2,10,11)/b9-5+.
What are the key properties of 2-methanimidoylbenzamide?
2-methanimidoylbenzamide has a molecular weight of 148.16 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoylbenzamide is sourced from PubChem (CID 123272130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).