N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide

C17H23ClN2O2 — CID 67921959

IUPACN-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide
SMILESCC(C)(C)N(NC(=O)C1CCCC1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O2/c1-17(2,3)20(19-15(21)12-6-4-5-7-12)16(22)13-8-10-14(18)11-9-13/h8-12H,4-7H2,1-3H3,(H,19,21)
InChIKeyAIZGIARIEYNXDN-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.80
Rot. Bonds2

About N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide

N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide (PubChem CID 67921959) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide
PubChem CID67921959
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide
SMILESCC(C)(C)N(NC(=O)C1CCCC1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O2/c1-17(2,3)20(19-15(21)12-6-4-5-7-12)16(22)13-8-10-14(18)11-9-13/h8-12H,4-7H2,1-3H3,(H,19,21)
InChIKeyAIZGIARIEYNXDN-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-N',4-dichlorobenzohydrazide
CID 57207833
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide
CID 2666799
N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237608
1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea
CID 134113406
N-tert-butyl-4-chloro-N'-hex-2-ynoylbenzohydrazide
CID 67921954
N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide
CID 46450538
1-(4-chlorophenyl)-1-(cyclohexanecarbonylamino)urea
CID 22306438
N-tert-butyl-4-chlorobenzohydrazide
CID 15617780

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide?
The IUPAC name of N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide (CID 67921959) is N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide.
What is the SMILES notation for N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide?
The canonical SMILES for N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide is CC(C)(C)N(NC(=O)C1CCCC1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide?
The InChIKey is AIZGIARIEYNXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-17(2,3)20(19-15(21)12-6-4-5-7-12)16(22)13-8-10-14(18)11-9-13/h8-12H,4-7H2,1-3H3,(H,19,21).
What are the key properties of N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide?
N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide has a molecular weight of 322.84 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide is sourced from PubChem (CID 67921959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).