N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide

C19H21FN2O2 — CID 23164438

IUPACN-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)N(NC(=O)c2ccc(F)cc2)C(C)(C)C)cc1
InChIInChI=1S/C19H21FN2O2/c1-13-5-7-15(8-6-13)18(24)22(19(2,3)4)21-17(23)14-9-11-16(20)12-10-14/h5-12H,1-4H3,(H,21,23)
InChIKeyGRMQITVXAXEBOV-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.72
Rot. Bonds2

About N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide

N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide (PubChem CID 23164438) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide
PubChem CID23164438
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)N(NC(=O)c2ccc(F)cc2)C(C)(C)C)cc1
InChIInChI=1S/C19H21FN2O2/c1-13-5-7-15(8-6-13)18(24)22(19(2,3)4)21-17(23)14-9-11-16(20)12-10-14/h5-12H,1-4H3,(H,21,23)
InChIKeyGRMQITVXAXEBOV-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.72
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',4-ditert-butyl-N'-(4-fluorobenzoyl)benzohydrazide;trihydrochloride
CID 70295703
N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide
CID 23200654
N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide
CID 70427389
N'-ethyl-4-fluoro-N'-(4-methylphenyl)benzohydrazide
CID 9181814
N-tert-butyl-N'-(4-tert-butylbenzoyl)-3-methylbenzohydrazide
CID 70427413
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
[4-[[tert-butyl-(3,5-dimethylbenzoyl)amino]carbamoyl]phenyl] acetate
CID 19367923
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
N-tert-butyl-3-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 70427497
N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide?
The IUPAC name of N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide (CID 23164438) is N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide?
The canonical SMILES for N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide is Cc1ccc(C(=O)N(NC(=O)c2ccc(F)cc2)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide?
The InChIKey is GRMQITVXAXEBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-5-7-15(8-6-13)18(24)22(19(2,3)4)21-17(23)14-9-11-16(20)12-10-14/h5-12H,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide?
N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide has a molecular weight of 328.39 g/mol, XLogP of 3.72, 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-fluorobenzoyl)-4-methylbenzohydrazide is sourced from PubChem (CID 23164438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).