N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide

C15H12Cl2N2O3 — CID 3626855

IUPACN-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
SMILESCC(=NNC(=O)c1ccc(O)cc1O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-8(11-4-2-9(16)6-13(11)17)18-19-15(22)12-5-3-10(20)7-14(12)21/h2-7,20-21H,1H3,(H,19,22)
InChIKeyTVJKPCYHPYVGPY-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.56
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide

N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide (PubChem CID 3626855) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
PubChem CID3626855
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC NameN-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
SMILESCC(=NNC(=O)c1ccc(O)cc1O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-8(11-4-2-9(16)6-13(11)17)18-19-15(22)12-5-3-10(20)7-14(12)21/h2-7,20-21H,1H3,(H,19,22)
InChIKeyTVJKPCYHPYVGPY-UHFFFAOYSA-N
XLogP3.56
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 135688205
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
2,4-dichloro-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6167444
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 7289797
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide
CID 7955460
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499
N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137153590
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845
2-amino-N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 137150949
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5402683
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide (CID 3626855) is N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide is CC(=NNC(=O)c1ccc(O)cc1O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide?
The InChIKey is TVJKPCYHPYVGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-8(11-4-2-9(16)6-13(11)17)18-19-15(22)12-5-3-10(20)7-14(12)21/h2-7,20-21H,1H3,(H,19,22).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide?
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide has a molecular weight of 339.18 g/mol, XLogP of 3.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide is sourced from PubChem (CID 3626855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).