N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide

C14H14N2O2 — CID 26871453

IUPACN-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccoc2)cc1C
InChIInChI=1S/C14H14N2O2/c1-10-3-4-13(7-11(10)2)14(17)16-15-8-12-5-6-18-9-12/h3-9H,1-2H3,(H,16,17)/b15-8-
InChIKeyJQYLHQXGXNBYDC-NVNXTCNLSA-N
MW242.28 g/mol
LogP2.66
Rot. Bonds3

About N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide

N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide (PubChem CID 26871453) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide
PubChem CID26871453
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2ccoc2)cc1C
InChIInChI=1S/C14H14N2O2/c1-10-3-4-13(7-11(10)2)14(17)16-15-8-12-5-6-18-9-12/h3-9H,1-2H3,(H,16,17)/b15-8-
InChIKeyJQYLHQXGXNBYDC-NVNXTCNLSA-N
XLogP2.66
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.66
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'}

Analyze N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-3-ylmethylideneamino)-3-methylbenzamide
CID 4923070
N-[(Z)-furan-3-ylmethylideneamino]-3-methylbenzamide
CID 6231503
3,4-dimethyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 841000
N-[(Z)-furan-3-ylmethylideneamino]-4-(3-methylbutanoylamino)benzamide
CID 6231536
2-fluoro-N-(furan-3-ylmethylideneamino)benzamide
CID 24819065
3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 922091
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide
CID 4252787
4-bromo-N-[(E)-(3-bromo-4-hydroxy-5-methylphenyl)methylideneamino]-3-methylbenzamide
CID 145487242
(furan-3-ylmethylideneamino)thiourea
CID 71406800
N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide
CID 4923111
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-methyl-3-nitrobenzamide
CID 4064288
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6273667

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide?
The IUPAC name of N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide (CID 26871453) is N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide is Cc1ccc(C(=O)N/N=C\c2ccoc2)cc1C.
What is the InChIKey of N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide?
The InChIKey is JQYLHQXGXNBYDC-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-3-4-13(7-11(10)2)14(17)16-15-8-12-5-6-18-9-12/h3-9H,1-2H3,(H,16,17)/b15-8-.
What are the key properties of N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide?
N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide has a molecular weight of 242.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-3-ylmethylideneamino]-3,4-dimethylbenzamide is sourced from PubChem (CID 26871453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).