3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide

C12H8Cl2N2O2 — CID 4991897

IUPAC3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O2/c13-10-4-3-8(6-11(10)14)12(17)16-15-7-9-2-1-5-18-9/h1-7H,(H,16,17)
InChIKeyKJIWPXLCPXDNML-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.35
Rot. Bonds3

About 3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide

3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide (PubChem CID 4991897) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is 3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
PubChem CID4991897
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Name3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O2/c13-10-4-3-8(6-11(10)14)12(17)16-15-7-9-2-1-5-18-9/h1-7H,(H,16,17)
InChIKeyKJIWPXLCPXDNML-UHFFFAOYSA-N
XLogP3.35
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.35
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-(furan-2-ylmethylideneamino)naphthalene-2-carboxamide
CID 67077074
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
3-fluoro-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6895117
3-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 5435136
3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
CID 1034838
3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
CID 967548
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522943
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide
CID 3599810
N-[(E)-furan-2-ylmethylideneamino]-4-phenoxybenzamide
CID 166606480

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide?
The IUPAC name of 3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide (CID 4991897) is 3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide?
The canonical SMILES for 3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide is O=C(NN=Cc1ccco1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide?
The InChIKey is KJIWPXLCPXDNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-10-4-3-8(6-11(10)14)12(17)16-15-7-9-2-1-5-18-9/h1-7H,(H,16,17).
What are the key properties of 3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide?
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide has a molecular weight of 283.11 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 4991897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).