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

C19H21ClN2O5 — CID 7601114

IUPACN'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)cc1OCC
InChIInChI=1S/C19H21ClN2O5/c1-3-25-16-10-9-13(11-17(16)26-4-2)19(24)22-21-18(23)12-27-15-8-6-5-7-14(15)20/h5-11H,3-4,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLUSRMHFFCIIBQW-UHFFFAOYSA-N
MW392.84 g/mol
LogP2.98
Rot. Bonds8

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

N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide (PubChem CID 7601114) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
PubChem CID7601114
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC NameN'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)cc1OCC
InChIInChI=1S/C19H21ClN2O5/c1-3-25-16-10-9-13(11-17(16)26-4-2)19(24)22-21-18(23)12-27-15-8-6-5-7-14(15)20/h5-11H,3-4,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLUSRMHFFCIIBQW-UHFFFAOYSA-N
XLogP2.98
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.98
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-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
CID 9470195
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dimethylbenzohydrazide
CID 2102668
4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
CID 19168127
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
6-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18287311
N-[4-(2-chlorophenoxy)but-2-ynyl]-3,4-diethoxybenzamide
CID 90574825
2-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluorobenzohydrazide
CID 36858937
5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18159243
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-ethoxybenzamide
CID 4927105

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide (CID 7601114) is N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)cc1OCC.
What is the InChIKey of N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide?
The InChIKey is LUSRMHFFCIIBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-3-25-16-10-9-13(11-17(16)26-4-2)19(24)22-21-18(23)12-27-15-8-6-5-7-14(15)20/h5-11H,3-4,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide?
N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide has a molecular weight of 392.84 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide is sourced from PubChem (CID 7601114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).