4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide

C14H13ClN2O4 — CID 134146070

IUPAC4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
SMILESO=C(NNCc1ccc(O)c(O)c1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-6,16,18-20H,7H2,(H,17,21)
InChIKeyMVFAMXYJQFIRHC-UHFFFAOYSA-N
MW308.72 g/mol
LogP1.89
Rot. Bonds4

About 4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide

4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide (PubChem CID 134146070) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
PubChem CID134146070
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
SMILESO=C(NNCc1ccc(O)c(O)c1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-6,16,18-20H,7H2,(H,17,21)
InChIKeyMVFAMXYJQFIRHC-UHFFFAOYSA-N
XLogP1.89
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 51.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
CID 134132191
4-(4-hydroxyphenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide
CID 134133579
4-fluoro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
CID 134134648
3-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide
CID 134135354
5-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]pentanehydrazide
CID 134145978
N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide
CID 134147280
2-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide
CID 134149302
4-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide
CID 134150601
2-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]acetohydrazide
CID 134151073
3-(4-fluorophenyl)-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide
CID 134156603
4-phenyl-N'-[(2,3,4-trihydroxyphenyl)methyl]butanehydrazide
CID 134156981
4-chloro-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 137316425

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide (CID 134146070) is 4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide is O=C(NNCc1ccc(O)c(O)c1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide?
The InChIKey is MVFAMXYJQFIRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-6,16,18-20H,7H2,(H,17,21).
What are the key properties of 4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide?
4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide has a molecular weight of 308.72 g/mol, XLogP of 1.89, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[(2,3,4-trihydroxyphenyl)methyl]benzohydrazide is sourced from PubChem (CID 134146070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).