N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide

C13H12N2O2 — CID 5411378

IUPACN-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C\c1ccco1
InChIInChI=1S/C13H12N2O2/c1-10-5-2-3-7-12(10)13(16)15-14-9-11-6-4-8-17-11/h2-9H,1H3,(H,15,16)/b14-9-
InChIKeyJJTOUTVLJJTZOX-ZROIWOOFSA-N
MW228.25 g/mol
LogP2.35
Rot. Bonds3

About N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide

N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide (PubChem CID 5411378) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
PubChem CID5411378
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C\c1ccco1
InChIInChI=1S/C13H12N2O2/c1-10-5-2-3-7-12(10)13(16)15-14-9-11-6-4-8-17-11/h2-9H,1H3,(H,15,16)/b14-9-
InChIKeyJJTOUTVLJJTZOX-ZROIWOOFSA-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-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide
CID 690188
N-(furan-2-ylmethylideneamino)-2-methylquinoline-3-carboxamide
CID 838465
N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 7727331
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
2-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
CID 1237415
1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea
CID 5423286
N-(furan-2-ylmethylideneamino)-1H-indole-7-carboxamide
CID 934241
2-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 6088620
4-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 722431
5-bromo-N-(furan-2-ylmethylideneamino)-2-hydroxybenzamide
CID 767297

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide (CID 5411378) is N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide is Cc1ccccc1C(=O)N/N=C\c1ccco1.
What is the InChIKey of N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide?
The InChIKey is JJTOUTVLJJTZOX-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-10-5-2-3-7-12(10)13(16)15-14-9-11-6-4-8-17-11/h2-9H,1H3,(H,15,16)/b14-9-.
What are the key properties of N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide?
N-[(Z)-furan-2-ylmethylideneamino]-2-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-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide is sourced from PubChem (CID 5411378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).