N-tert-butyl-4-chlorobenzohydrazide

C11H15ClN2O — CID 15617780

IUPACN-tert-butyl-4-chlorobenzohydrazide
SMILESCC(C)(C)N(N)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-11(2,3)14(13)10(15)8-4-6-9(12)7-5-8/h4-7H,13H2,1-3H3
InChIKeyWDZWZAXMGUFJBH-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.45
Rot. Bonds1

About N-tert-butyl-4-chlorobenzohydrazide

N-tert-butyl-4-chlorobenzohydrazide (PubChem CID 15617780) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-tert-butyl-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-4-chlorobenzohydrazide
PubChem CID15617780
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-tert-butyl-4-chlorobenzohydrazide
SMILESCC(C)(C)N(N)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-11(2,3)14(13)10(15)8-4-6-9(12)7-5-8/h4-7H,13H2,1-3H3
InChIKeyWDZWZAXMGUFJBH-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide
CID 19752746
N-tert-butyl-N',4-dichlorobenzohydrazide
CID 57207833
3-[amino(tert-butyl)carbamoyl]-5-chloro-N-methylbenzamide
CID 134113443
N,N'-diacetyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 3820065
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride
CID 54256213
3-[tert-butyl-(4-chlorobenzoyl)amino]-2-methylpropanoic acid
CID 82325390
benzoyl chloride;N-tert-butylnaphthalene-2-carbohydrazide;dihydrochloride
CID 173294045
4-chloro(13C)benzoic acid
CID 66995527
(4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone
CID 70464224
4-chlorobenzoic acid;fluoromethane
CID 174932068
2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide
CID 82113368

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chlorobenzohydrazide?
The IUPAC name of N-tert-butyl-4-chlorobenzohydrazide (CID 15617780) is N-tert-butyl-4-chlorobenzohydrazide.
What is the SMILES notation for N-tert-butyl-4-chlorobenzohydrazide?
The canonical SMILES for N-tert-butyl-4-chlorobenzohydrazide is CC(C)(C)N(N)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-tert-butyl-4-chlorobenzohydrazide?
The InChIKey is WDZWZAXMGUFJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-11(2,3)14(13)10(15)8-4-6-9(12)7-5-8/h4-7H,13H2,1-3H3.
What are the key properties of N-tert-butyl-4-chlorobenzohydrazide?
N-tert-butyl-4-chlorobenzohydrazide has a molecular weight of 226.71 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-chlorobenzohydrazide is sourced from PubChem (CID 15617780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).