N-(furan-3-ylmethylideneamino)-3-methylbenzamide

C13H12N2O2 — CID 4923070

IUPACN-(furan-3-ylmethylideneamino)-3-methylbenzamide
SMILESCc1cccc(C(=O)NN=Cc2ccoc2)c1
InChIInChI=1S/C13H12N2O2/c1-10-3-2-4-12(7-10)13(16)15-14-8-11-5-6-17-9-11/h2-9H,1H3,(H,15,16)
InChIKeyDFINPYZFMGDNEW-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.35
Rot. Bonds3

About N-(furan-3-ylmethylideneamino)-3-methylbenzamide

N-(furan-3-ylmethylideneamino)-3-methylbenzamide (PubChem CID 4923070) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(furan-3-ylmethylideneamino)-3-methylbenzamide.

Molecular Properties

Compound NameN-(furan-3-ylmethylideneamino)-3-methylbenzamide
PubChem CID4923070
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-(furan-3-ylmethylideneamino)-3-methylbenzamide
SMILESCc1cccc(C(=O)NN=Cc2ccoc2)c1
InChIInChI=1S/C13H12N2O2/c1-10-3-2-4-12(7-10)13(16)15-14-8-11-5-6-17-9-11/h2-9H,1H3,(H,15,16)
InChIKeyDFINPYZFMGDNEW-UHFFFAOYSA-N
XLogP2.35
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-furan-3-ylmethylideneamino]-3-methylbenzamide
CID 6231503
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide
CID 26871453
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136852017
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412
3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5417741
3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 5407114
N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide
CID 4923111
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-3-methylbenzamide
CID 755593

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethylideneamino)-3-methylbenzamide?
The IUPAC name of N-(furan-3-ylmethylideneamino)-3-methylbenzamide (CID 4923070) is N-(furan-3-ylmethylideneamino)-3-methylbenzamide.
What is the SMILES notation for N-(furan-3-ylmethylideneamino)-3-methylbenzamide?
The canonical SMILES for N-(furan-3-ylmethylideneamino)-3-methylbenzamide is Cc1cccc(C(=O)NN=Cc2ccoc2)c1.
What is the InChIKey of N-(furan-3-ylmethylideneamino)-3-methylbenzamide?
The InChIKey is DFINPYZFMGDNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-10-3-2-4-12(7-10)13(16)15-14-8-11-5-6-17-9-11/h2-9H,1H3,(H,15,16).
What are the key properties of N-(furan-3-ylmethylideneamino)-3-methylbenzamide?
N-(furan-3-ylmethylideneamino)-3-methylbenzamide has a molecular weight of 228.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethylideneamino)-3-methylbenzamide is sourced from PubChem (CID 4923070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).