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

C15H11Cl3N2O2 — CID 3849495

IUPAC2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O2/c1-22-14-5-2-9(6-13(14)18)8-19-20-15(21)11-4-3-10(16)7-12(11)17/h2-8H,1H3,(H,20,21)
InChIKeyXIRVHSUZWFUNSJ-UHFFFAOYSA-N
MW357.62 g/mol
LogP4.42
Rot. Bonds4

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

2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 3849495) has the molecular formula C15H11Cl3N2O2 and a molecular weight of 357.62 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID3849495
Molecular FormulaC15H11Cl3N2O2
Molecular Weight357.62 g/mol
Exact Mass355.99
IUPAC Name2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N2O2/c1-22-14-5-2-9(6-13(14)18)8-19-20-15(21)11-4-3-10(16)7-12(11)17/h2-8H,1H3,(H,20,21)
InChIKeyXIRVHSUZWFUNSJ-UHFFFAOYSA-N
XLogP4.42
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.62
LogP ≤ 54.42
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

2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
[4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 4507669
2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 137131275
[4-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 110341009
[4-[(Z)-[(2-chloro-4-methylbenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 41002107
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 6303373
[4-[[(2-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 4290172
5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 5057069
methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 3281330
2,4-dichloro-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 96885111
2-chloro-N-[(Z)-(4-methoxy-3-methylphenyl)methylideneamino]-4-methylbenzamide
CID 126060129
2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3623191

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide (CID 3849495) is 2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is XIRVHSUZWFUNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O2/c1-22-14-5-2-9(6-13(14)18)8-19-20-15(21)11-4-3-10(16)7-12(11)17/h2-8H,1H3,(H,20,21).
What are the key properties of 2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide?
2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 357.62 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3849495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).