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

C18H17ClN2O3 — CID 164609106

IUPAC4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)CCCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C18H17ClN2O3/c19-15-8-9-16-14(10-15)2-1-3-17(22)21(16)11-12-4-6-13(7-5-12)18(23)20-24/h4-10,24H,1-3,11H2,(H,20,23)
InChIKeyMJRAWABZLHXTMT-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.33
Rot. Bonds3

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

4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide (PubChem CID 164609106) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
PubChem CID164609106
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)CCCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C18H17ClN2O3/c19-15-8-9-16-14(10-15)2-1-3-17(22)21(16)11-12-4-6-13(7-5-12)18(23)20-24/h4-10,24H,1-3,11H2,(H,20,23)
InChIKeyMJRAWABZLHXTMT-UHFFFAOYSA-N
XLogP3.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.33
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-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide (CID 164609106) is 4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2C(=O)CCCc3cc(Cl)ccc32)cc1.
What is the InChIKey of 4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
The InChIKey is MJRAWABZLHXTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-15-8-9-16-14(10-15)2-1-3-17(22)21(16)11-12-4-6-13(7-5-12)18(23)20-24/h4-10,24H,1-3,11H2,(H,20,23).
What are the key properties of 4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide?
4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide has a molecular weight of 344.80 g/mol, XLogP of 3.33, 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-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 164609106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).