N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide

C17H16Cl2N2O4 — CID 35934045

IUPACN'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C17H16Cl2N2O4/c1-24-14-7-6-10(8-15(14)25-2)17(23)21-20-16(22)9-11-12(18)4-3-5-13(11)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDWIONFMKVVQZLQ-UHFFFAOYSA-N
MW383.23 g/mol
LogP3.01
Rot. Bonds5

About N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide

N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide (PubChem CID 35934045) has the molecular formula C17H16Cl2N2O4 and a molecular weight of 383.23 g/mol. Its IUPAC name is N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide
PubChem CID35934045
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC NameN'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C17H16Cl2N2O4/c1-24-14-7-6-10(8-15(14)25-2)17(23)21-20-16(22)9-11-12(18)4-3-5-13(11)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDWIONFMKVVQZLQ-UHFFFAOYSA-N
XLogP3.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 8933305
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
CID 925956
methyl 4-[2-(2,6-dichlorophenyl)acetyl]oxy-3-methoxybenzoate
CID 8840295
N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 9090512
N'-[2-[(2-chlorophenyl)methoxy]acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 55789099
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
CID 17175462
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate
CID 55313953

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide (CID 35934045) is N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)Cc2c(Cl)cccc2Cl)cc1OC.
What is the InChIKey of N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is DWIONFMKVVQZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4/c1-24-14-7-6-10(8-15(14)25-2)17(23)21-20-16(22)9-11-12(18)4-3-5-13(11)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide?
N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide has a molecular weight of 383.23 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 35934045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).