N-(aminomethylidene)benzamide

C8H8N2O — CID 55287210

IUPACN-(aminomethylidene)benzamide
SMILESN/C=N/C(=O)c1ccccc1
InChIInChI=1S/C8H8N2O/c9-6-10-8(11)7-4-2-1-3-5-7/h1-6H,(H2,9,10,11)
InChIKeyFDAZVFPQKZMDPL-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.81
Rot. Bonds1

About N-(aminomethylidene)benzamide

N-(aminomethylidene)benzamide (PubChem CID 55287210) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is N-(aminomethylidene)benzamide.

Molecular Properties

Compound NameN-(aminomethylidene)benzamide
PubChem CID55287210
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC NameN-(aminomethylidene)benzamide
SMILESN/C=N/C(=O)c1ccccc1
InChIInChI=1S/C8H8N2O/c9-6-10-8(11)7-4-2-1-3-5-7/h1-6H,(H2,9,10,11)
InChIKeyFDAZVFPQKZMDPL-UHFFFAOYSA-N
XLogP0.81
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Benzamide
CID 2331
N-Methylbenzamide
CID 11954
4-Methylbenzamide
CID 69274
Terephthalamide
CID 76381
m-Toluamide
CID 69253
Benzoyl isothiocyanate
CID 68284
Benzoyl isocyanate
CID 78210
N-(Aminoiminomethyl)benzamide
CID 76630
Benzamide, N-cyano-
CID 84805
3M-519S
CID 4553009
N1,N4-Dimethyl-1,4-benzenedicarboxamide
CID 96246
4-Ethenylbenzamide
CID 285483

Frequently Asked Questions

What is the IUPAC name of N-(aminomethylidene)benzamide?
The IUPAC name of N-(aminomethylidene)benzamide (CID 55287210) is N-(aminomethylidene)benzamide.
What is the SMILES notation for N-(aminomethylidene)benzamide?
The canonical SMILES for N-(aminomethylidene)benzamide is N/C=N/C(=O)c1ccccc1.
What is the InChIKey of N-(aminomethylidene)benzamide?
The InChIKey is FDAZVFPQKZMDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-6-10-8(11)7-4-2-1-3-5-7/h1-6H,(H2,9,10,11).
What are the key properties of N-(aminomethylidene)benzamide?
N-(aminomethylidene)benzamide has a molecular weight of 148.16 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)benzamide is sourced from PubChem (CID 55287210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).