2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide

C18H19ClN2O5 — CID 8870426

IUPAC2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccccc2Cl)c(OC)c1OC
InChIInChI=1S/C18H19ClN2O5/c1-24-14-9-8-11(16(25-2)17(14)26-3)10-15(22)20-21-18(23)12-6-4-5-7-13(12)19/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyYJICFNANIVKWSC-UHFFFAOYSA-N
MW378.81 g/mol
LogP2.37
Rot. Bonds6

About 2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide

2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide (PubChem CID 8870426) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is 2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide
PubChem CID8870426
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC Name2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccccc2Cl)c(OC)c1OC
InChIInChI=1S/C18H19ClN2O5/c1-24-14-9-8-11(16(25-2)17(14)26-3)10-15(22)20-21-18(23)12-6-4-5-7-13(12)19/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyYJICFNANIVKWSC-UHFFFAOYSA-N
XLogP2.37
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9079447
2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide
CID 9084950
N-(2-acetylphenyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18089670
2,3-dimethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 912695
4-bromo-1-methyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]pyrrole-2-carbohydrazide
CID 24533026
2-chloro-N'-[2-(2,6-dichlorophenyl)acetyl]benzohydrazide
CID 35929309
methyl 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
CID 4511035
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]-2-methoxybenzohydrazide
CID 31956715
2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 46591375
2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 31606677
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9090069
N'-(2-chlorobenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide
CID 35930751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide (CID 8870426) is 2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide is COc1ccc(CC(=O)NNC(=O)c2ccccc2Cl)c(OC)c1OC.
What is the InChIKey of 2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide?
The InChIKey is YJICFNANIVKWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-24-14-9-8-11(16(25-2)17(14)26-3)10-15(22)20-21-18(23)12-6-4-5-7-13(12)19/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide?
2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide has a molecular weight of 378.81 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 8870426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).