2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide

C15H13ClN2O5 — CID 90965237

IUPAC2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
SMILESNN(C(=O)Cc1cccc(O)c1)C(=O)c1c(O)cc(O)cc1Cl
InChIInChI=1S/C15H13ClN2O5/c16-11-6-10(20)7-12(21)14(11)15(23)18(17)13(22)5-8-2-1-3-9(19)4-8/h1-4,6-7,19-21H,5,17H2
InChIKeyFMYKFVSDWVKSRA-UHFFFAOYSA-N
MW336.73 g/mol
LogP1.54
Rot. Bonds3

About 2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide

2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide (PubChem CID 90965237) has the molecular formula C15H13ClN2O5 and a molecular weight of 336.73 g/mol. Its IUPAC name is 2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
PubChem CID90965237
Molecular FormulaC15H13ClN2O5
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC Name2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
SMILESNN(C(=O)Cc1cccc(O)c1)C(=O)c1c(O)cc(O)cc1Cl
InChIInChI=1S/C15H13ClN2O5/c16-11-6-10(20)7-12(21)14(11)15(23)18(17)13(22)5-8-2-1-3-9(19)4-8/h1-4,6-7,19-21H,5,17H2
InChIKeyFMYKFVSDWVKSRA-UHFFFAOYSA-N
XLogP1.54
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 90755127
2-chloro-4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-6-methoxybenzohydrazide
CID 59421967
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 62729336
1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 116577080
1-(3-chloro-2-fluorophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 82803396
N-(4-aminophenyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 61399690
N-[2-(dimethylamino)-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide
CID 61399713
3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one
CID 116592903
2-(3-hydroxyphenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 61399936
N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55173941
ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate
CID 54984127

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide?
The IUPAC name of 2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide (CID 90965237) is 2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide is NN(C(=O)Cc1cccc(O)c1)C(=O)c1c(O)cc(O)cc1Cl.
What is the InChIKey of 2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide?
The InChIKey is FMYKFVSDWVKSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5/c16-11-6-10(20)7-12(21)14(11)15(23)18(17)13(22)5-8-2-1-3-9(19)4-8/h1-4,6-7,19-21H,5,17H2.
What are the key properties of 2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide?
2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide has a molecular weight of 336.73 g/mol, XLogP of 1.54, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dihydroxy-N-[2-(3-hydroxyphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 90965237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).