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

C17H16Cl2N2O5 — CID 1107945

IUPACN'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C17H16Cl2N2O5/c1-24-14-5-3-10(7-15(14)25-2)17(23)21-20-16(22)9-26-13-6-4-11(18)8-12(13)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPNVPUNTUFUYVRP-UHFFFAOYSA-N
MW399.23 g/mol
LogP2.85
Rot. Bonds6

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

N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide (PubChem CID 1107945) has the molecular formula C17H16Cl2N2O5 and a molecular weight of 399.23 g/mol. Its IUPAC name is N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
PubChem CID1107945
Molecular FormulaC17H16Cl2N2O5
Molecular Weight399.23 g/mol
Exact Mass398.04
IUPAC NameN'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C17H16Cl2N2O5/c1-24-14-5-3-10(7-15(14)25-2)17(23)21-20-16(22)9-26-13-6-4-11(18)8-12(13)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPNVPUNTUFUYVRP-UHFFFAOYSA-N
XLogP2.85
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 52.85
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-(2,4-dichlorophenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2818575
methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
CID 17178356
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate
CID 55313953
4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide
CID 4938584
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952085
2-(2,4-dichlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1351524
3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 17355468
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112743
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide (CID 1107945) is N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is PNVPUNTUFUYVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O5/c1-24-14-5-3-10(7-15(14)25-2)17(23)21-20-16(22)9-26-13-6-4-11(18)8-12(13)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide?
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide has a molecular weight of 399.23 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 1107945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).