4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide

C18H19ClN2O2 — CID 156889604

IUPAC4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2CCCCc3ccc(Cl)cc32)cc1
InChIInChI=1S/C18H19ClN2O2/c19-16-9-8-14-3-1-2-10-21(17(14)11-16)12-13-4-6-15(7-5-13)18(22)20-23/h4-9,11,23H,1-3,10,12H2,(H,20,22)
InChIKeyFFSTVYVJBPAQFL-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.80
Rot. Bonds3

About 4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide

4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide (PubChem CID 156889604) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
PubChem CID156889604
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2CCCCc3ccc(Cl)cc32)cc1
InChIInChI=1S/C18H19ClN2O2/c19-16-9-8-14-3-1-2-10-21(17(14)11-16)12-13-4-6-15(7-5-13)18(22)20-23/h4-9,11,23H,1-3,10,12H2,(H,20,22)
InChIKeyFFSTVYVJBPAQFL-UHFFFAOYSA-N
XLogP3.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-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-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide (CID 156889604) is 4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2CCCCc3ccc(Cl)cc32)cc1.
What is the InChIKey of 4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
The InChIKey is FFSTVYVJBPAQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-16-9-8-14-3-1-2-10-21(17(14)11-16)12-13-4-6-15(7-5-13)18(22)20-23/h4-9,11,23H,1-3,10,12H2,(H,20,22).
What are the key properties of 4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide has a molecular weight of 330.82 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 156889604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).