4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide

C12H9ClN2O2 — CID 6786016

IUPAC4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2O2/c13-10-5-3-9(4-6-10)12(16)15-14-8-11-2-1-7-17-11/h1-8H,(H,15,16)/b14-8+
InChIKeyUNVOTDGPNAVDAJ-RIYZIHGNSA-N
MW248.67 g/mol
LogP2.70
Rot. Bonds3

About 4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide

4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide (PubChem CID 6786016) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide
PubChem CID6786016
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2O2/c13-10-5-3-9(4-6-10)12(16)15-14-8-11-2-1-7-17-11/h1-8H,(H,15,16)/b14-8+
InChIKeyUNVOTDGPNAVDAJ-RIYZIHGNSA-N
XLogP2.70
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.70
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'-(2-Furylmethylene)-4-methoxybenzohydrazide
CID 7290584
({[5-(4-Chlorophenyl)furan-2-yl]methylidene}amino)urea
CID 9563572
N'-[(1E,2E)-2-chloro-3-phenylprop-2-en-1-ylidene]furan-2-carbohydrazide
CID 6861696
N-{(1E)-2-[5-(4-chlorophenyl)(2-furyl)]-1-azavinyl}propanamide
CID 5875601
N'-(2-Furylmethylene)-4-hydroxybenzohydrazide
CID 6870761
N'-{(E)-[5-(2-chlorophenyl)furan-2-yl]methylidene}benzohydrazide
CID 9615829
3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
CID 6859328
2-chloro-N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 6904308
2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide
CID 7832177
N'-[(E)-furan-3-ylmethylidene]-3-methylbenzohydrazide
CID 9685781
2,4-dichloro-N'-[(E)-furan-3-ylmethylidene]benzohydrazide
CID 9685789
2-fluoro-N'-[(E)-furan-3-ylmethylidene]benzohydrazide
CID 25237142

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide (CID 6786016) is 4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide?
The InChIKey is UNVOTDGPNAVDAJ-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-10-5-3-9(4-6-10)12(16)15-14-8-11-2-1-7-17-11/h1-8H,(H,15,16)/b14-8+.
What are the key properties of 4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide?
4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide has a molecular weight of 248.67 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 6786016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).