3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide

C13H13N3O2 — CID 5391882

IUPAC3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(N)c1)c1ccco1
InChIInChI=1S/C13H13N3O2/c1-9(12-6-3-7-18-12)15-16-13(17)10-4-2-5-11(14)8-10/h2-8H,14H2,1H3,(H,16,17)/b15-9-
InChIKeyJYAKZOIEQMZICV-DHDCSXOGSA-N
MW243.27 g/mol
LogP2.02
Rot. Bonds3

About 3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide

3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide (PubChem CID 5391882) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
PubChem CID5391882
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(N)c1)c1ccco1
InChIInChI=1S/C13H13N3O2/c1-9(12-6-3-7-18-12)15-16-13(17)10-4-2-5-11(14)8-10/h2-8H,14H2,1H3,(H,16,17)/b15-9-
InChIKeyJYAKZOIEQMZICV-DHDCSXOGSA-N
XLogP2.02
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469
3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5407477
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4251869
3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 39354555
5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 4648878
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 5434357

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide?
The IUPAC name of 3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide (CID 5391882) is 3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1cccc(N)c1)c1ccco1.
What is the InChIKey of 3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide?
The InChIKey is JYAKZOIEQMZICV-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9(12-6-3-7-18-12)15-16-13(17)10-4-2-5-11(14)8-10/h2-8H,14H2,1H3,(H,16,17)/b15-9-.
What are the key properties of 3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide?
3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide has a molecular weight of 243.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 5391882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).