1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide

C21H23ClN2O4 — CID 134018216

IUPAC1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C21H23ClN2O4/c1-2-27-17-9-3-4-10-18(17)28-14-19(25)23-24-20(26)21(11-6-12-21)15-7-5-8-16(22)13-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyXCIZPTDJQLHQPJ-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.39
Rot. Bonds7

About 1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide

1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide (PubChem CID 134018216) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide
PubChem CID134018216
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Name1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C21H23ClN2O4/c1-2-27-17-9-3-4-10-18(17)28-14-19(25)23-24-20(26)21(11-6-12-21)15-7-5-8-16(22)13-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyXCIZPTDJQLHQPJ-UHFFFAOYSA-N
XLogP3.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 55677645
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide
CID 31307704
1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide
CID 35694725
5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
CID 36545531
1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 56812374
2-(2-ethoxyphenoxy)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 26251366
1-(3-chlorophenyl)-N-[2-(ethylsulfonylamino)ethyl]cyclobutane-1-carboxamide
CID 51078722
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide
CID 52737970
N-(5-acetamido-2-pyridinyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 139002279

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide?
The IUPAC name of 1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide (CID 134018216) is 1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide?
The canonical SMILES for 1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide?
The InChIKey is XCIZPTDJQLHQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-2-27-17-9-3-4-10-18(17)28-14-19(25)23-24-20(26)21(11-6-12-21)15-7-5-8-16(22)13-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide?
1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide has a molecular weight of 402.88 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide is sourced from PubChem (CID 134018216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).