3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide

C14H9Cl3N2O — CID 780461

IUPAC3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl3N2O/c15-11-4-2-1-3-10(11)8-18-19-14(20)9-5-6-12(16)13(17)7-9/h1-8H,(H,19,20)
InChIKeyWEKBVPSKRMHLLI-UHFFFAOYSA-N
MW327.60 g/mol
LogP4.41
Rot. Bonds3

About 3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide

3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide (PubChem CID 780461) has the molecular formula C14H9Cl3N2O and a molecular weight of 327.60 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
PubChem CID780461
Molecular FormulaC14H9Cl3N2O
Molecular Weight327.60 g/mol
Exact Mass325.98
IUPAC Name3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl3N2O/c15-11-4-2-1-3-10(11)8-18-19-14(20)9-5-6-12(16)13(17)7-9/h1-8H,(H,19,20)
InChIKeyWEKBVPSKRMHLLI-UHFFFAOYSA-N
XLogP4.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4588973
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodobenzamide
CID 5435276
3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 5196692
N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 1001986
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117681
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
CID 155806357
N-(anthracen-9-ylmethylideneamino)-3,4-dichlorobenzamide
CID 4524228
N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide
CID 6139999

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide?
The IUPAC name of 3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide (CID 780461) is 3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide is O=C(NN=Cc1ccccc1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide?
The InChIKey is WEKBVPSKRMHLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2O/c15-11-4-2-1-3-10(11)8-18-19-14(20)9-5-6-12(16)13(17)7-9/h1-8H,(H,19,20).
What are the key properties of 3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide?
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide has a molecular weight of 327.60 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 780461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).