4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide

C17H16ClN3O6 — CID 19168127

IUPAC4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16ClN3O6/c1-2-26-14-5-3-4-6-15(14)27-10-16(22)19-20-17(23)11-7-8-12(18)13(9-11)21(24)25/h3-9H,2,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyQELLPHCTLOVCOG-UHFFFAOYSA-N
MW393.78 g/mol
LogP2.49
Rot. Bonds7

About 4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide

4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide (PubChem CID 19168127) has the molecular formula C17H16ClN3O6 and a molecular weight of 393.78 g/mol. Its IUPAC name is 4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
PubChem CID19168127
Molecular FormulaC17H16ClN3O6
Molecular Weight393.78 g/mol
Exact Mass393.07
IUPAC Name4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16ClN3O6/c1-2-26-14-5-3-4-6-15(14)27-10-16(22)19-20-17(23)11-7-8-12(18)13(9-11)21(24)25/h3-9H,2,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyQELLPHCTLOVCOG-UHFFFAOYSA-N
XLogP2.49
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.78
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-[2-(4-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
CID 19168126
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621
N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-4-chloro-3-nitrobenzohydrazide
CID 4633302
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 3961255
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dimethylbenzohydrazide
CID 2102668
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632
4-(methylamino)-N'-[2-(2-methylphenoxy)acetyl]-3-nitrobenzohydrazide
CID 9157370
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
6-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18287311

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide (CID 19168127) is 4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide?
The InChIKey is QELLPHCTLOVCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O6/c1-2-26-14-5-3-4-6-15(14)27-10-16(22)19-20-17(23)11-7-8-12(18)13(9-11)21(24)25/h3-9H,2,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide?
4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide has a molecular weight of 393.78 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 19168127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).