N'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide

C19H21ClN2O3 — CID 134100624

IUPACN'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide
SMILESCC(C)(CO)CN(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C19H21ClN2O3/c1-19(2,13-23)12-22(18(25)15-6-4-3-5-7-15)21-17(24)14-8-10-16(20)11-9-14/h3-11,23H,12-13H2,1-2H3,(H,21,24)
InChIKeyJNWMFQMSAPTNSD-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.15
Rot. Bonds5

About N'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide

N'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide (PubChem CID 134100624) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide
PubChem CID134100624
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide
SMILESCC(C)(CO)CN(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C19H21ClN2O3/c1-19(2,13-23)12-22(18(25)15-6-4-3-5-7-15)21-17(24)14-8-10-16(20)11-9-14/h3-11,23H,12-13H2,1-2H3,(H,21,24)
InChIKeyJNWMFQMSAPTNSD-UHFFFAOYSA-N
XLogP3.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476
N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide
CID 134120408
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
CID 70427780
acetic acid;N-tert-butyl-N-hydroxybenzamide
CID 162308139
N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan
CID 89310943
N-tert-butyl-N',4-dichlorobenzohydrazide
CID 57207833
N'-benzoyl-N-butyl-4-formylbenzohydrazide
CID 154230416
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 56847025

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide?
The IUPAC name of N'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide (CID 134100624) is N'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide.
What is the SMILES notation for N'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide?
The canonical SMILES for N'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide is CC(C)(CO)CN(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide?
The InChIKey is JNWMFQMSAPTNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-19(2,13-23)12-22(18(25)15-6-4-3-5-7-15)21-17(24)14-8-10-16(20)11-9-14/h3-11,23H,12-13H2,1-2H3,(H,21,24).
What are the key properties of N'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide?
N'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide has a molecular weight of 360.84 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide is sourced from PubChem (CID 134100624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).