4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide

C14H17ClN2O — CID 139242073

IUPAC4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide
SMILESC=CCC1(NNC(=O)c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C14H17ClN2O/c1-2-8-14(9-3-10-14)17-16-13(18)11-4-6-12(15)7-5-11/h2,4-7,17H,1,3,8-10H2,(H,16,18)
InChIKeyUDMZLROXAUEHSH-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.07
Rot. Bonds5

About 4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide

4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide (PubChem CID 139242073) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide
PubChem CID139242073
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide
SMILESC=CCC1(NNC(=O)c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C14H17ClN2O/c1-2-8-14(9-3-10-14)17-16-13(18)11-4-6-12(15)7-5-11/h2,4-7,17H,1,3,8-10H2,(H,16,18)
InChIKeyUDMZLROXAUEHSH-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide?
The IUPAC name of 4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide (CID 139242073) is 4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide.
What is the SMILES notation for 4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide?
The canonical SMILES for 4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide is C=CCC1(NNC(=O)c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide?
The InChIKey is UDMZLROXAUEHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-2-8-14(9-3-10-14)17-16-13(18)11-4-6-12(15)7-5-11/h2,4-7,17H,1,3,8-10H2,(H,16,18).
What are the key properties of 4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide?
4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide has a molecular weight of 264.76 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(1-prop-2-enylcyclobutyl)benzohydrazide is sourced from PubChem (CID 139242073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).