2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide

C17H17ClN2O5 — CID 59421984

IUPAC2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide
SMILESCOc1cc(Cl)c(C(=O)NNC(=O)Cc2cccc(O)c2)cc1OC
InChIInChI=1S/C17H17ClN2O5/c1-24-14-8-12(13(18)9-15(14)25-2)17(23)20-19-16(22)7-10-4-3-5-11(21)6-10/h3-6,8-9,21H,7H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyHBLYGDLVJFJIBI-UHFFFAOYSA-N
MW364.79 g/mol
LogP2.07
Rot. Bonds5

About 2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide

2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide (PubChem CID 59421984) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is 2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide
PubChem CID59421984
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide
SMILESCOc1cc(Cl)c(C(=O)NNC(=O)Cc2cccc(O)c2)cc1OC
InChIInChI=1S/C17H17ClN2O5/c1-24-14-8-12(13(18)9-15(14)25-2)17(23)20-19-16(22)7-10-4-3-5-11(21)6-10/h3-6,8-9,21H,7H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyHBLYGDLVJFJIBI-UHFFFAOYSA-N
XLogP2.07
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-6-methoxybenzohydrazide
CID 59421967
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2-hydroxybenzohydrazide
CID 7535074
2-fluoro-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422019
methyl 4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzoate
CID 59421998
2,3-dimethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 912695
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219
N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934045
2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide
CID 8870426
4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422014
2-chloro-N'-[2-(3,4-dichlorophenyl)acetyl]benzohydrazide
CID 2117207
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
N-(2,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399992

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide (CID 59421984) is 2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide is COc1cc(Cl)c(C(=O)NNC(=O)Cc2cccc(O)c2)cc1OC.
What is the InChIKey of 2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide?
The InChIKey is HBLYGDLVJFJIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-24-14-8-12(13(18)9-15(14)25-2)17(23)20-19-16(22)7-10-4-3-5-11(21)6-10/h3-6,8-9,21H,7H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide?
2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide has a molecular weight of 364.79 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide is sourced from PubChem (CID 59421984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).