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

C13H11ClN2O2 — CID 5407477

IUPAC3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(Cl)c1)c1ccco1
InChIInChI=1S/C13H11ClN2O2/c1-9(12-6-3-7-18-12)15-16-13(17)10-4-2-5-11(14)8-10/h2-8H,1H3,(H,16,17)/b15-9-
InChIKeySDSBIXZBROTQIP-DHDCSXOGSA-N
MW262.70 g/mol
LogP3.09
Rot. Bonds3

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

3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide (PubChem CID 5407477) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
PubChem CID5407477
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(Cl)c1)c1ccco1
InChIInChI=1S/C13H11ClN2O2/c1-9(12-6-3-7-18-12)15-16-13(17)10-4-2-5-11(14)8-10/h2-8H,1H3,(H,16,17)/b15-9-
InChIKeySDSBIXZBROTQIP-DHDCSXOGSA-N
XLogP3.09
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.09
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-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469
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
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4251869
3-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CID 5218597
5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 4648878
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 5480352
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4587189
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-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide (CID 5407477) is 3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1cccc(Cl)c1)c1ccco1.
What is the InChIKey of 3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide?
The InChIKey is SDSBIXZBROTQIP-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-9(12-6-3-7-18-12)15-16-13(17)10-4-2-5-11(14)8-10/h2-8H,1H3,(H,16,17)/b15-9-.
What are the key properties of 3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide?
3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide has a molecular weight of 262.70 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 5407477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).