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

C18H17Cl3N2O2 — CID 23164437

IUPACN'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
SMILESCC(C)(C)N(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl3N2O2/c1-18(2,3)23(17(25)11-4-6-13(19)7-5-11)22-16(24)12-8-14(20)10-15(21)9-12/h4-10H,1-3H3,(H,22,24)
InChIKeyTZIFARHARSLLFI-UHFFFAOYSA-N
MW399.71 g/mol
LogP5.23
Rot. Bonds2

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

N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide (PubChem CID 23164437) has the molecular formula C18H17Cl3N2O2 and a molecular weight of 399.71 g/mol. Its IUPAC name is N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
PubChem CID23164437
Molecular FormulaC18H17Cl3N2O2
Molecular Weight399.71 g/mol
Exact Mass398.04
IUPAC NameN'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
SMILESCC(C)(C)N(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl3N2O2/c1-18(2,3)23(17(25)11-4-6-13(19)7-5-11)22-16(24)12-8-14(20)10-15(21)9-12/h4-10H,1-3H3,(H,22,24)
InChIKeyTZIFARHARSLLFI-UHFFFAOYSA-N
XLogP5.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.71
LogP ≤ 55.23
H-Bond Donors ≤ 51
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'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N-tert-butyl-3,4-dichloro-N'-(4-chlorobenzoyl)benzohydrazide;trihydrochloride
CID 173294617
N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide
CID 134101828
N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476
N-tert-butyl-N',4-dichlorobenzohydrazide
CID 57207833
N'-tert-butyl-2-chloro-N'-(3,5-dichlorobenzoyl)-1,3-benzothiazole-6-carbohydrazide
CID 24728645
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
CID 19368031
N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide
CID 67921959
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide
CID 70427775
1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-dichlorophenyl)urea
CID 134100672
1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-(5-chloro-2-fluorophenyl)urea
CID 134112760

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide?
The IUPAC name of N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide (CID 23164437) is N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide.
What is the SMILES notation for N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide?
The canonical SMILES for N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide is CC(C)(C)N(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide?
The InChIKey is TZIFARHARSLLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O2/c1-18(2,3)23(17(25)11-4-6-13(19)7-5-11)22-16(24)12-8-14(20)10-15(21)9-12/h4-10H,1-3H3,(H,22,24).
What are the key properties of N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide?
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide has a molecular weight of 399.71 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide is sourced from PubChem (CID 23164437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).