4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide

C18H19ClN2O2 — CID 164610864

IUPAC4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2CCCCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C18H19ClN2O2/c19-16-8-9-17-15(11-16)3-1-2-10-21(17)12-13-4-6-14(7-5-13)18(22)20-23/h4-9,11,23H,1-3,10,12H2,(H,20,22)
InChIKeyIQDUEAVZOHIZHX-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.80
Rot. Bonds3

About 4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide

4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide (PubChem CID 164610864) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
PubChem CID164610864
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2CCCCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C18H19ClN2O2/c19-16-8-9-17-15(11-16)3-1-2-10-21(17)12-13-4-6-14(7-5-13)18(22)20-23/h4-9,11,23H,1-3,10,12H2,(H,20,22)
InChIKeyIQDUEAVZOHIZHX-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide (CID 164610864) is 4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2CCCCc3cc(Cl)ccc32)cc1.
What is the InChIKey of 4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
The InChIKey is IQDUEAVZOHIZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-16-8-9-17-15(11-16)3-1-2-10-21(17)12-13-4-6-14(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-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
4-[(7-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-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 164610864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).