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

C17H17ClN2O5 — CID 2710688

IUPACN'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O5/c1-23-14-7-11(8-15(9-14)24-2)17(22)20-19-16(21)10-25-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFNLHYARFUBRQBV-UHFFFAOYSA-N
MW364.79 g/mol
LogP2.20
Rot. Bonds6

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

N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide (PubChem CID 2710688) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
PubChem CID2710688
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC NameN'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O5/c1-23-14-7-11(8-15(9-14)24-2)17(22)20-19-16(21)10-25-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFNLHYARFUBRQBV-UHFFFAOYSA-N
XLogP2.20
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.20
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

4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide
CID 10740185
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
N'-[2-(3-bromophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 7921241
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 54790918
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide
CID 40718388
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide
CID 2091608
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887713

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide (CID 2710688) is N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)COc2ccc(Cl)cc2)c1.
What is the InChIKey of N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide?
The InChIKey is FNLHYARFUBRQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-23-14-7-11(8-15(9-14)24-2)17(22)20-19-16(21)10-25-13-5-3-12(18)4-6-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide?
N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide has a molecular weight of 364.79 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide is sourced from PubChem (CID 2710688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).