2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide

C14H9Cl3N2O — CID 5332948

IUPAC2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H9Cl3N2O/c15-10-6-5-9(13(17)7-10)8-18-19-14(20)11-3-1-2-4-12(11)16/h1-8H,(H,19,20)/b18-8+
InChIKeyAEALUGCYHFKSGQ-QGMBQPNBSA-N
MW327.60 g/mol
LogP4.41
Rot. Bonds3

About 2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide

2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide (PubChem CID 5332948) has the molecular formula C14H9Cl3N2O and a molecular weight of 327.60 g/mol. Its IUPAC name is 2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
PubChem CID5332948
Molecular FormulaC14H9Cl3N2O
Molecular Weight327.60 g/mol
Exact Mass325.98
IUPAC Name2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H9Cl3N2O/c15-10-6-5-9(13(17)7-10)8-18-19-14(20)11-3-1-2-4-12(11)16/h1-8H,(H,19,20)/b18-8+
InChIKeyAEALUGCYHFKSGQ-QGMBQPNBSA-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

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 6154481
N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
CID 4931422
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide
CID 71557223
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide
CID 5339577
1-[(2-chlorophenyl)methyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524431
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide (CID 5332948) is 2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide?
The InChIKey is AEALUGCYHFKSGQ-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H9Cl3N2O/c15-10-6-5-9(13(17)7-10)8-18-19-14(20)11-3-1-2-4-12(11)16/h1-8H,(H,19,20)/b18-8+.
What are the key properties of 2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide?
2-chloro-N-[(E)-(2,4-dichlorophenyl)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 2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5332948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).