N'-tert-butyl-3-chlorobenzohydrazide

C11H15ClN2O — CID 15617772

IUPACN'-tert-butyl-3-chlorobenzohydrazide
SMILESCC(C)(C)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-11(2,3)14-13-10(15)8-5-4-6-9(12)7-8/h4-7,14H,1-3H3,(H,13,15)
InChIKeyZRTBIOCIDFBRQP-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.37
Rot. Bonds2

About N'-tert-butyl-3-chlorobenzohydrazide

N'-tert-butyl-3-chlorobenzohydrazide (PubChem CID 15617772) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N'-tert-butyl-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-3-chlorobenzohydrazide
PubChem CID15617772
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN'-tert-butyl-3-chlorobenzohydrazide
SMILESCC(C)(C)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-11(2,3)14-13-10(15)8-5-4-6-9(12)7-8/h4-7,14H,1-3H3,(H,13,15)
InChIKeyZRTBIOCIDFBRQP-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
3-chloro-N'-[(2R)-2-chloropropanoyl]benzohydrazide
CID 25323385
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
3-chloro-N-propan-2-ylbenzamide
CID 669184
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
CID 24634953
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 24637788
ethyl N-[(3-chlorobenzoyl)amino]carbamate
CID 7979102
3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 82811022
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
3-chloro-N'-(methylperoxymethyl)benzohydrazide
CID 163583814
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477
N'-(3-chlorobenzoyl)-5-methylthiophene-2-carbohydrazide
CID 27604628

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3-chlorobenzohydrazide?
The IUPAC name of N'-tert-butyl-3-chlorobenzohydrazide (CID 15617772) is N'-tert-butyl-3-chlorobenzohydrazide.
What is the SMILES notation for N'-tert-butyl-3-chlorobenzohydrazide?
The canonical SMILES for N'-tert-butyl-3-chlorobenzohydrazide is CC(C)(C)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N'-tert-butyl-3-chlorobenzohydrazide?
The InChIKey is ZRTBIOCIDFBRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-11(2,3)14-13-10(15)8-5-4-6-9(12)7-8/h4-7,14H,1-3H3,(H,13,15).
What are the key properties of N'-tert-butyl-3-chlorobenzohydrazide?
N'-tert-butyl-3-chlorobenzohydrazide has a molecular weight of 226.71 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-chlorobenzohydrazide is sourced from PubChem (CID 15617772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).