N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide

C13H12N2O2 — CID 5396908

IUPACN-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C13H12N2O2/c1-10(12-8-5-9-17-12)14-15-13(16)11-6-3-2-4-7-11/h2-9H,1H3,(H,15,16)/b14-10+
InChIKeyCQGATEFROFGTCU-GXDHUFHOSA-N
MW228.25 g/mol
LogP2.43
Rot. Bonds3

About N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide

N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide (PubChem CID 5396908) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
PubChem CID5396908
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C13H12N2O2/c1-10(12-8-5-9-17-12)14-15-13(16)11-6-3-2-4-7-11/h2-9H,1H3,(H,15,16)/b14-10+
InChIKeyCQGATEFROFGTCU-GXDHUFHOSA-N
XLogP2.43
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 ≤ 52.43
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-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469
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-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide
CID 134884255
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3309207
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide
CID 921018
N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
CID 6339329

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide (CID 5396908) is N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccccc1)c1ccco1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide?
The InChIKey is CQGATEFROFGTCU-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-10(12-8-5-9-17-12)14-15-13(16)11-6-3-2-4-7-11/h2-9H,1H3,(H,15,16)/b14-10+.
What are the key properties of N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide?
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide has a molecular weight of 228.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 5396908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).