N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide

C19H21ClN2O2 — CID 23164401

IUPACN'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NN(C(=O)c2ccc(Cl)cc2)C(C)(C)C)c1
InChIInChI=1S/C19H21ClN2O2/c1-13-6-5-7-15(12-13)17(23)21-22(19(2,3)4)18(24)14-8-10-16(20)11-9-14/h5-12H,1-4H3,(H,21,23)
InChIKeyLFPRCXWPWNRTMX-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.23
Rot. Bonds2

About N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide

N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide (PubChem CID 23164401) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
PubChem CID23164401
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NN(C(=O)c2ccc(Cl)cc2)C(C)(C)C)c1
InChIInChI=1S/C19H21ClN2O2/c1-13-6-5-7-15(12-13)17(23)21-22(19(2,3)4)18(24)14-8-10-16(20)11-9-14/h5-12H,1-4H3,(H,21,23)
InChIKeyLFPRCXWPWNRTMX-UHFFFAOYSA-N
XLogP4.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 70427413
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
CID 19368031
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 70427497
N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan
CID 89310943
3-bromo-N-tert-butyl-N'-(3-methylbenzoyl)thiophene-2-carbohydrazide
CID 67899302
N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476
N-tert-butyl-3-methyl-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 70427476
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
CID 67913116

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide?
The IUPAC name of N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide (CID 23164401) is N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide is Cc1cccc(C(=O)NN(C(=O)c2ccc(Cl)cc2)C(C)(C)C)c1.
What is the InChIKey of N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide?
The InChIKey is LFPRCXWPWNRTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-6-5-7-15(12-13)17(23)21-22(19(2,3)4)18(24)14-8-10-16(20)11-9-14/h5-12H,1-4H3,(H,21,23).
What are the key properties of N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide?
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide has a molecular weight of 344.84 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide is sourced from PubChem (CID 23164401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).