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

C20H23ClN2O2 — CID 118974776

IUPACN-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
SMILESCc1cc(C)cc(C(=O)N(NC(=O)c2ccccc2Cl)C(C)(C)C)c1
InChIInChI=1S/C20H23ClN2O2/c1-13-10-14(2)12-15(11-13)19(25)23(20(3,4)5)22-18(24)16-8-6-7-9-17(16)21/h6-12H,1-5H3,(H,22,24)
InChIKeySZMJYTDDIMWTCL-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.54
Rot. Bonds2

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

N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide (PubChem CID 118974776) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
PubChem CID118974776
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
SMILESCc1cc(C)cc(C(=O)N(NC(=O)c2ccccc2Cl)C(C)(C)C)c1
InChIInChI=1S/C20H23ClN2O2/c1-13-10-14(2)12-15(11-13)19(25)23(20(3,4)5)22-18(24)16-8-6-7-9-17(16)21/h6-12H,1-5H3,(H,22,24)
InChIKeySZMJYTDDIMWTCL-UHFFFAOYSA-N
XLogP4.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.54
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'-(3,5-dimethylbenzoyl)-2,3-dimethoxybenzohydrazide
CID 101134353
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1,3-benzodioxole-4-carbohydrazide
CID 50940762
N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
CID 67913116
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide
CID 70427775
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 59992458
N'-tert-butyl-5-chloro-N'-(3,5-dimethylbenzoyl)-4H-1,3-benzodioxine-6-carbohydrazide
CID 69294857
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-nitrobenzohydrazide
CID 69296103
N'-tert-butyl-2-iodo-N'-(3-iodo-5-methylbenzoyl)-3-methoxybenzohydrazide
CID 118012187
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,4,6-trifluorobenzohydrazide
CID 154480486

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide?
The IUPAC name of N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide (CID 118974776) is N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide?
The canonical SMILES for N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide is Cc1cc(C)cc(C(=O)N(NC(=O)c2ccccc2Cl)C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide?
The InChIKey is SZMJYTDDIMWTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-13-10-14(2)12-15(11-13)19(25)23(20(3,4)5)22-18(24)16-8-6-7-9-17(16)21/h6-12H,1-5H3,(H,22,24).
What are the key properties of N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide?
N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide has a molecular weight of 358.87 g/mol, XLogP of 4.54, 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'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide is sourced from PubChem (CID 118974776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).