2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide

C14H10Cl2N2O3 — CID 136661445

IUPAC2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(O)cc1O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-9-2-4-11(12(16)5-9)14(21)18-17-7-8-1-3-10(19)6-13(8)20/h1-7,19-20H,(H,18,21)/b17-7-
InChIKeyOBHLSQRWTKOAIG-IDUWFGFVSA-N
MW325.15 g/mol
LogP3.17
Rot. Bonds3

About 2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide

2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide (PubChem CID 136661445) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
PubChem CID136661445
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(O)cc1O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-9-2-4-11(12(16)5-9)14(21)18-17-7-8-1-3-10(19)6-13(8)20/h1-7,19-20H,(H,18,21)/b17-7-
InChIKeyOBHLSQRWTKOAIG-IDUWFGFVSA-N
XLogP3.17
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

2,4-dichloro-N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 137173612
5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 135455727
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide
CID 71557223
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide
CID 136904981
2,4-dichloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 136750620
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 137105852
2-chloro-N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136890963
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
3,6-dichloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 135822327
2,4-dichloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 135688205
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 137133430

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide (CID 136661445) is 2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(O)cc1O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is OBHLSQRWTKOAIG-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-9-2-4-11(12(16)5-9)14(21)18-17-7-8-1-3-10(19)6-13(8)20/h1-7,19-20H,(H,18,21)/b17-7-.
What are the key properties of 2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide has a molecular weight of 325.15 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136661445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).