2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide

C21H15Cl3N2O2 — CID 136783676

IUPAC2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(Cc2ccccc2Cl)ccc1O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H15Cl3N2O2/c22-16-6-7-17(19(24)11-16)21(28)26-25-12-15-10-13(5-8-20(15)27)9-14-3-1-2-4-18(14)23/h1-8,10-12,27H,9H2,(H,26,28)/b25-12-
InChIKeyRNOIGOHFDJCCNZ-ROTLSHHCSA-N
MW433.72 g/mol
LogP5.71
Rot. Bonds5

About 2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide

2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide (PubChem CID 136783676) has the molecular formula C21H15Cl3N2O2 and a molecular weight of 433.72 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide
PubChem CID136783676
Molecular FormulaC21H15Cl3N2O2
Molecular Weight433.72 g/mol
Exact Mass432.02
IUPAC Name2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(Cc2ccccc2Cl)ccc1O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H15Cl3N2O2/c22-16-6-7-17(19(24)11-16)21(28)26-25-12-15-10-13(5-8-20(15)27)9-14-3-1-2-4-18(14)23/h1-8,10-12,27H,9H2,(H,26,28)/b25-12-
InChIKeyRNOIGOHFDJCCNZ-ROTLSHHCSA-N
XLogP5.71
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.72
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 136911367
2-bromo-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135926012
N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 3692775
N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide
CID 136690362
N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 135578751
N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide
CID 136715577
N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 1351876
5-tert-butyl-N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 135578679
2-hydroxy-N-[[2-hydroxy-5-[[4-hydroxy-3-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]methyl]phenyl]methylideneamino]benzamide
CID 4531044
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide
CID 71557223
4-chloro-N-[(E)-[5-[[3-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-4-hydroxyphenyl]methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135505356

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide (CID 136783676) is 2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide is O=C(N/N=C\c1cc(Cc2ccccc2Cl)ccc1O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide?
The InChIKey is RNOIGOHFDJCCNZ-ROTLSHHCSA-N. The full InChI is InChI=1S/C21H15Cl3N2O2/c22-16-6-7-17(19(24)11-16)21(28)26-25-12-15-10-13(5-8-20(15)27)9-14-3-1-2-4-18(14)23/h1-8,10-12,27H,9H2,(H,26,28)/b25-12-.
What are the key properties of 2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide?
2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide has a molecular weight of 433.72 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 136783676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).