4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide

C22H22N2O3 — CID 71525388

IUPAC4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide
SMILESCC1(C)CC(=O)c2c(n(Cc3ccc(C(=O)NO)cc3)c3ccccc23)C1
InChIInChI=1S/C22H22N2O3/c1-22(2)11-18-20(19(25)12-22)16-5-3-4-6-17(16)24(18)13-14-7-9-15(10-8-14)21(26)23-27/h3-10,27H,11-13H2,1-2H3,(H,23,26)
InChIKeyKNGYJGCJSLNFJM-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.96
Rot. Bonds3

About 4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide

4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide (PubChem CID 71525388) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide
PubChem CID71525388
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide
SMILESCC1(C)CC(=O)c2c(n(Cc3ccc(C(=O)NO)cc3)c3ccccc23)C1
InChIInChI=1S/C22H22N2O3/c1-22(2)11-18-20(19(25)12-22)16-5-3-4-6-17(16)24(18)13-14-7-9-15(10-8-14)21(26)23-27/h3-10,27H,11-13H2,1-2H3,(H,23,26)
InChIKeyKNGYJGCJSLNFJM-UHFFFAOYSA-N
XLogP3.96
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide (CID 71525388) is 4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide is CC1(C)CC(=O)c2c(n(Cc3ccc(C(=O)NO)cc3)c3ccccc23)C1.
What is the InChIKey of 4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide?
The InChIKey is KNGYJGCJSLNFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-22(2)11-18-20(19(25)12-22)16-5-3-4-6-17(16)24(18)13-14-7-9-15(10-8-14)21(26)23-27/h3-10,27H,11-13H2,1-2H3,(H,23,26).
What are the key properties of 4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide?
4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide has a molecular weight of 362.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 71525388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).