4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide

C15H11Cl3N2O2 — CID 4512927

IUPAC4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1c(Cl)cc(C=NNC(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H11Cl3N2O2/c1-22-14-12(17)6-9(7-13(14)18)8-19-20-15(21)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,20,21)
InChIKeyLEQPQTZMJASLJA-UHFFFAOYSA-N
MW357.62 g/mol
LogP4.42
Rot. Bonds4

About 4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide

4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 4512927) has the molecular formula C15H11Cl3N2O2 and a molecular weight of 357.62 g/mol. Its IUPAC name is 4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID4512927
Molecular FormulaC15H11Cl3N2O2
Molecular Weight357.62 g/mol
Exact Mass355.99
IUPAC Name4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1c(Cl)cc(C=NNC(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H11Cl3N2O2/c1-22-14-12(17)6-9(7-13(14)18)8-19-20-15(21)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,20,21)
InChIKeyLEQPQTZMJASLJA-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

N-[(E)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 6133035
2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 126201965
4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 899702
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
N-[(Z)-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126196928
2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 110509279
N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide
CID 6445159
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137021928
[2-chloro-6-methoxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3321219
4-[(4-chlorophenyl)methoxy]-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3473992
4-[(4-chlorophenoxy)methyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 42992150

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide (CID 4512927) is 4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide is COc1c(Cl)cc(C=NNC(=O)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is LEQPQTZMJASLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O2/c1-22-14-12(17)6-9(7-13(14)18)8-19-20-15(21)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,20,21).
What are the key properties of 4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide?
4-chloro-N-[(3,5-dichloro-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 4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4512927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).