N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide

C20H14Cl2N2O3 — CID 2725439

IUPACN-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)c1ccccc1O
InChIInChI=1S/C20H14Cl2N2O3/c21-13-9-12(19(26)17(22)10-13)11-23-14-5-7-15(8-6-14)24-20(27)16-3-1-2-4-18(16)25/h1-11,25-26H,(H,24,27)/b23-11+
InChIKeyUCXZOSZVOVDYMR-FOKLQQMPSA-N
MW401.25 g/mol
LogP5.41
Rot. Bonds4

About N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide

N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide (PubChem CID 2725439) has the molecular formula C20H14Cl2N2O3 and a molecular weight of 401.25 g/mol. Its IUPAC name is N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide
PubChem CID2725439
Molecular FormulaC20H14Cl2N2O3
Molecular Weight401.25 g/mol
Exact Mass400.04
IUPAC NameN-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)c1ccccc1O
InChIInChI=1S/C20H14Cl2N2O3/c21-13-9-12(19(26)17(22)10-13)11-23-14-5-7-15(8-6-14)24-20(27)16-3-1-2-4-18(16)25/h1-11,25-26H,(H,24,27)/b23-11+
InChIKeyUCXZOSZVOVDYMR-FOKLQQMPSA-N
XLogP5.41
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.25
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 615778
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 137127853
N'-[4-chloro-6-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]anilino]pyrimidin-5-yl]-N-phenyloxamide
CID 5210742
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-[[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamothioylamino]benzamide
CID 135520646
cobalt(2+);bis(2,4-dichloro-6-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate)
CID 5386751
copper bis([2,4-dichloro-6-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]oxidanium)
CID 50910310
4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide
CID 1272124
4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3365256
3,4-dichloro-N-[4-[(2-hydroxybenzoyl)amino]phenyl]benzamide
CID 624416

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide?
The IUPAC name of N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide (CID 2725439) is N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide?
The canonical SMILES for N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide is O=C(Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1)c1ccccc1O.
What is the InChIKey of N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide?
The InChIKey is UCXZOSZVOVDYMR-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H14Cl2N2O3/c21-13-9-12(19(26)17(22)10-13)11-23-14-5-7-15(8-6-14)24-20(27)16-3-1-2-4-18(16)25/h1-11,25-26H,(H,24,27)/b23-11+.
What are the key properties of N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide?
N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide has a molecular weight of 401.25 g/mol, XLogP of 5.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 2725439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).