N-benzylidene-4-methylbenzamide

C15H13NO — CID 13298779

IUPACN-benzylidene-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=C/c2ccccc2)cc1
InChIInChI=1S/C15H13NO/c1-12-7-9-14(10-8-12)15(17)16-11-13-5-3-2-4-6-13/h2-11H,1H3/b16-11+
InChIKeyUJPGTRFAKDTVJE-LFIBNONCSA-N
MW223.27 g/mol
LogP3.25
Rot. Bonds2

About N-benzylidene-4-methylbenzamide

N-benzylidene-4-methylbenzamide (PubChem CID 13298779) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is N-benzylidene-4-methylbenzamide.

Molecular Properties

Compound NameN-benzylidene-4-methylbenzamide
PubChem CID13298779
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC NameN-benzylidene-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=C/c2ccccc2)cc1
InChIInChI=1S/C15H13NO/c1-12-7-9-14(10-8-12)15(17)16-11-13-5-3-2-4-6-13/h2-11H,1H3/b16-11+
InChIKeyUJPGTRFAKDTVJE-LFIBNONCSA-N
XLogP3.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-Phenylmethylidene]benzohydrazide
CID 9561277
N-(benzylideneamino)benzamide
CID 238530
n'-(4-Methylbenzylidene)benzohydrazide
CID 9562978
4-Methyl-N'-[(E)-phenylmethylidene]benzohydrazide
CID 5331913
[1,1'-Biphenyl]-4-carbonyl isothiocyanate
CID 12472211
4-Methyl-N'-(4-methylbenzylidene)benzohydrazide
CID 5333148
1-Oxoisoindole
CID 191109
N-benzhydrylidenebenzamide
CID 282096
N-(iminophenylmethyl)benzamide
CID 3846616
N-[(Z)-benzylideneamino]benzamide
CID 5355662
N-[[4-(trifluoromethyl)phenyl]methylidene]benzamide
CID 101433337
4-Methyl-benzoyl isocyanate
CID 11344167

Frequently Asked Questions

What is the IUPAC name of N-benzylidene-4-methylbenzamide?
The IUPAC name of N-benzylidene-4-methylbenzamide (CID 13298779) is N-benzylidene-4-methylbenzamide.
What is the SMILES notation for N-benzylidene-4-methylbenzamide?
The canonical SMILES for N-benzylidene-4-methylbenzamide is Cc1ccc(C(=O)/N=C/c2ccccc2)cc1.
What is the InChIKey of N-benzylidene-4-methylbenzamide?
The InChIKey is UJPGTRFAKDTVJE-LFIBNONCSA-N. The full InChI is InChI=1S/C15H13NO/c1-12-7-9-14(10-8-12)15(17)16-11-13-5-3-2-4-6-13/h2-11H,1H3/b16-11+.
What are the key properties of N-benzylidene-4-methylbenzamide?
N-benzylidene-4-methylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylidene-4-methylbenzamide is sourced from PubChem (CID 13298779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).