4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide

C17H18Cl2N2O — CID 2813076

IUPAC4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O/c1-17(2,3)12-6-4-11(5-7-12)16(22)21-20-15-9-13(18)8-14(19)10-15/h4-10,20H,1-3H3,(H,21,22)
InChIKeyHXOQPDBCIZUPLU-UHFFFAOYSA-N
MW337.25 g/mol
LogP5.05
Rot. Bonds3

About 4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide

4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide (PubChem CID 2813076) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide
PubChem CID2813076
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O/c1-17(2,3)12-6-4-11(5-7-12)16(22)21-20-15-9-13(18)8-14(19)10-15/h4-10,20H,1-3H3,(H,21,22)
InChIKeyHXOQPDBCIZUPLU-UHFFFAOYSA-N
XLogP5.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.25
LogP ≤ 55.05
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'-(4-tert-butylphenyl)benzohydrazide
CID 2813094
1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea
CID 840661
4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109048535
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3,5-dichlorobenzamide
CID 17232551
2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 3453386
[(1R)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 4-tert-butylbenzoate
CID 2467611
N'-[5-amino-6-(3,5-dichloroanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 22545003
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
4-tert-butyl-N-(4-chloro-2-iodophenyl)benzamide
CID 107640588
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
CID 24634953
CID 172553263
CID 172553263

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide (CID 2813076) is 4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide is CC(C)(C)c1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide?
The InChIKey is HXOQPDBCIZUPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-17(2,3)12-6-4-11(5-7-12)16(22)21-20-15-9-13(18)8-14(19)10-15/h4-10,20H,1-3H3,(H,21,22).
What are the key properties of 4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide?
4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide has a molecular weight of 337.25 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide is sourced from PubChem (CID 2813076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).