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

C15H13ClN2O6 — CID 90755127

IUPAC2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide
SMILESNN(C(=O)c1c(O)cc(O)cc1Cl)C(=O)C(O)c1cccc(O)c1
InChIInChI=1S/C15H13ClN2O6/c16-10-5-9(20)6-11(21)12(10)14(23)18(17)15(24)13(22)7-2-1-3-8(19)4-7/h1-6,13,19-22H,17H2
InChIKeyMGYFHGBKDRUOAI-UHFFFAOYSA-N
MW352.73 g/mol
LogP1.03
Rot. Bonds3

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

2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide (PubChem CID 90755127) has the molecular formula C15H13ClN2O6 and a molecular weight of 352.73 g/mol. Its IUPAC name is 2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide
PubChem CID90755127
Molecular FormulaC15H13ClN2O6
Molecular Weight352.73 g/mol
Exact Mass352.05
IUPAC Name2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide
SMILESNN(C(=O)c1c(O)cc(O)cc1Cl)C(=O)C(O)c1cccc(O)c1
InChIInChI=1S/C15H13ClN2O6/c16-10-5-9(20)6-11(21)12(10)14(23)18(17)15(24)13(22)7-2-1-3-8(19)4-7/h1-6,13,19-22H,17H2
InChIKeyMGYFHGBKDRUOAI-UHFFFAOYSA-N
XLogP1.03
TPSA144.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 51.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 90965237
2-(3-hydroxyphenyl)-2-sulfanylacetamide
CID 173431407
methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate
CID 171863514
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
CID 70112963
3-(1-hydroxy-2-hydroxyiminopropyl)phenol
CID 130765393
[3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid
CID 54173444
2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide
CID 130033757
3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite
CID 25267770
2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid
CID 79366255
3-[(1S)-2-amino-1-hydroxypropyl]phenol
CID 70582339
3-[(S)-(chloroamino)-phenylmethyl]phenol
CID 118402185
3-[(2S)-2-amino-1-hydroxypropyl]phenol
CID 102328188

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide?
The IUPAC name of 2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide (CID 90755127) is 2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide is NN(C(=O)c1c(O)cc(O)cc1Cl)C(=O)C(O)c1cccc(O)c1.
What is the InChIKey of 2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide?
The InChIKey is MGYFHGBKDRUOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O6/c16-10-5-9(20)6-11(21)12(10)14(23)18(17)15(24)13(22)7-2-1-3-8(19)4-7/h1-6,13,19-22H,17H2.
What are the key properties of 2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide?
2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide has a molecular weight of 352.73 g/mol, XLogP of 1.03, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dihydroxy-N-[2-hydroxy-2-(3-hydroxyphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 90755127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).