1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide

C12H15ClN2O2 — CID 116844322

IUPAC1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide
SMILESCOc1ccc(C2(C(=O)NN)CCC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c1-17-8-3-4-9(10(13)7-8)12(5-2-6-12)11(16)15-14/h3-4,7H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyRVUVYUYYRNXVDN-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.76
Rot. Bonds3

About 1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide

1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide (PubChem CID 116844322) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide
PubChem CID116844322
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide
SMILESCOc1ccc(C2(C(=O)NN)CCC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c1-17-8-3-4-9(10(13)7-8)12(5-2-6-12)11(16)15-14/h3-4,7H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyRVUVYUYYRNXVDN-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(2-chloro-4-methoxyphenyl)oxetane-3-carboxylic acid
CID 116871779
1-(2-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844537
2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one
CID 166124236
1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
CID 116844354
1-(3-chloro-5-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117390007
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 110437487
methyl 1-(2,4-dichlorophenyl)cyclopentane-1-carboxylate
CID 3454678
1-amino-3-[(2-chloro-4-methoxyphenyl)methyl]urea
CID 115192660
1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115189617
1-(4-methoxy-2,3-dimethylphenyl)cyclopropane-1-carbohydrazide
CID 116844174
(1-aminocyclopropyl)-(2-chloro-4-methoxyphenyl)methanone
CID 116924320
1-(4-chloro-2-hydroxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394988

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide (CID 116844322) is 1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide is COc1ccc(C2(C(=O)NN)CCC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide?
The InChIKey is RVUVYUYYRNXVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-17-8-3-4-9(10(13)7-8)12(5-2-6-12)11(16)15-14/h3-4,7H,2,5-6,14H2,1H3,(H,15,16).
What are the key properties of 1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide?
1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide has a molecular weight of 254.72 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)cyclobutane-1-carbohydrazide is sourced from PubChem (CID 116844322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).