N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide

C20H22Cl2N2O2 — CID 70427775

IUPACN'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide
SMILESCc1cccc(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)c1C
InChIInChI=1S/C20H22Cl2N2O2/c1-12-7-6-8-17(13(12)2)18(25)23-24(20(3,4)5)19(26)14-9-15(21)11-16(22)10-14/h6-11H,1-5H3,(H,23,25)
InChIKeyPLCNEBYNFBOSFN-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.20
Rot. Bonds2

About N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide

N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide (PubChem CID 70427775) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide
PubChem CID70427775
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC NameN'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide
SMILESCc1cccc(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)c1C
InChIInChI=1S/C20H22Cl2N2O2/c1-12-7-6-8-17(13(12)2)18(25)23-24(20(3,4)5)19(26)14-9-15(21)11-16(22)10-14/h6-11H,1-5H3,(H,23,25)
InChIKeyPLCNEBYNFBOSFN-UHFFFAOYSA-N
XLogP5.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.20
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'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide
CID 18961985
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-4-carbohydrazide
CID 134102618
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,2,4-trimethyl-3H-1-benzofuran-5-carbohydrazide
CID 42597330
N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide
CID 70427389
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide
CID 139683569
N'-tert-butyl-N'-(3,4-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide
CID 22400604
N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide
CID 134101828
N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide
CID 67921998
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
CID 67913116

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide?
The IUPAC name of N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide (CID 70427775) is N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide is Cc1cccc(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)c1C.
What is the InChIKey of N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide?
The InChIKey is PLCNEBYNFBOSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-12-7-6-8-17(13(12)2)18(25)23-24(20(3,4)5)19(26)14-9-15(21)11-16(22)10-14/h6-11H,1-5H3,(H,23,25).
What are the key properties of N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide?
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide has a molecular weight of 393.31 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide is sourced from PubChem (CID 70427775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).