N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide

C14H14N2O2 — CID 910469

IUPACN-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
SMILESCC(=NNC(=O)c1cccc(C)c1)c1ccco1
InChIInChI=1S/C14H14N2O2/c1-10-5-3-6-12(9-10)14(17)16-15-11(2)13-7-4-8-18-13/h3-9H,1-2H3,(H,16,17)
InChIKeyCAVPEVXUDKUTEX-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.74
Rot. Bonds3

About N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide

N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide (PubChem CID 910469) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
PubChem CID910469
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
SMILESCC(=NNC(=O)c1cccc(C)c1)c1ccco1
InChIInChI=1S/C14H14N2O2/c1-10-5-3-6-12(9-10)14(17)16-15-11(2)13-7-4-8-18-13/h3-9H,1-2H3,(H,16,17)
InChIKeyCAVPEVXUDKUTEX-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 5434357
3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5407477
3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5391882
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4251869
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 4648878

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide?
The IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide (CID 910469) is N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide is CC(=NNC(=O)c1cccc(C)c1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide?
The InChIKey is CAVPEVXUDKUTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-5-3-6-12(9-10)14(17)16-15-11(2)13-7-4-8-18-13/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide?
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide has a molecular weight of 242.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide is sourced from PubChem (CID 910469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).