N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide

C18H21N3O3 — CID 71525744

IUPACN-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide
SMILESCc1nn(Cc2ccc(C(=O)NO)cc2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H21N3O3/c1-11-16-14(8-18(2,3)9-15(16)22)21(19-11)10-12-4-6-13(7-5-12)17(23)20-24/h4-7,24H,8-10H2,1-3H3,(H,20,23)
InChIKeyHDFXCPBORXQULA-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.51
Rot. Bonds3

About N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide

N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide (PubChem CID 71525744) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide
PubChem CID71525744
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide
SMILESCc1nn(Cc2ccc(C(=O)NO)cc2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H21N3O3/c1-11-16-14(8-18(2,3)9-15(16)22)21(19-11)10-12-4-6-13(7-5-12)17(23)20-24/h4-7,24H,8-10H2,1-3H3,(H,20,23)
InChIKeyHDFXCPBORXQULA-UHFFFAOYSA-N
XLogP2.51
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide 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

2-(Cyclopent-3-en-1-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 11854433
2-(Cyclopropylmethylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 11857078
2-(Cyclobutylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 11857083
2-(3-Methoxypropylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 66952874
4-[[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]methyl]-N-hydroxybenzamide
CID 145967593
N-hydroxy-4-[2-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 145967698
N-hydroxy-4-[[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide
CID 145967832
N-hydroxy-4-[[3-methyl-5-(4-methylphenyl)pyrazol-1-yl]methyl]benzamide
CID 145969789
N-hydroxy-4-[[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide
CID 145969996
N-hydroxy-4-[[5-methyl-3-(4-methylphenyl)pyrazol-1-yl]methyl]benzamide
CID 145987492
N-hydroxy-4-[2-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 145989487
2-(3-amino-3-oxopropyl)-3-(4-methylbenzoyl)-2H-indazole 1-oxide
CID 24817254

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide (CID 71525744) is N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide is Cc1nn(Cc2ccc(C(=O)NO)cc2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide?
The InChIKey is HDFXCPBORXQULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11-16-14(8-18(2,3)9-15(16)22)21(19-11)10-12-4-6-13(7-5-12)17(23)20-24/h4-7,24H,8-10H2,1-3H3,(H,20,23).
What are the key properties of N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide?
N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)methyl]benzamide is sourced from PubChem (CID 71525744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).