4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide

C16H17ClN2O3 — CID 91679833

IUPAC4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NN)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3/c1-2-21-15-9-12(16(20)19-18)5-8-14(15)22-10-11-3-6-13(17)7-4-11/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyGDXRFBLWPXWYGI-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.92
Rot. Bonds6

About 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide

4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide (PubChem CID 91679833) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide
PubChem CID91679833
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide
SMILESCCOc1cc(C(=O)NN)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3/c1-2-21-15-9-12(16(20)19-18)5-8-14(15)22-10-11-3-6-13(17)7-4-11/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyGDXRFBLWPXWYGI-UHFFFAOYSA-N
XLogP2.92
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3856625
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55558162
N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
CID 2192184
N-[(E)-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126315344
4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene
CID 43324667
3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide
CID 61095701
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
3-[[4-(4-chlorophenyl)phenyl]methoxy]-N-hydroxy-4-methoxybenzamide
CID 155530092
methyl (E)-3-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoate
CID 91689933
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide (CID 91679833) is 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide is CCOc1cc(C(=O)NN)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide?
The InChIKey is GDXRFBLWPXWYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-2-21-15-9-12(16(20)19-18)5-8-14(15)22-10-11-3-6-13(17)7-4-11/h3-9H,2,10,18H2,1H3,(H,19,20).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide?
4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide has a molecular weight of 320.78 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide is sourced from PubChem (CID 91679833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).