4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide

C20H13ClN2O3 — CID 18571351

IUPAC4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClN2O3/c21-13-7-5-12(6-8-13)19(24)22-14-9-10-17-15(11-14)20(25)23-16-3-1-2-4-18(16)26-17/h1-11H,(H,22,24)(H,23,25)
InChIKeySIGOZDDUHRNZOL-UHFFFAOYSA-N
MW364.79 g/mol
LogP4.95
Rot. Bonds2

About 4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide

4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide (PubChem CID 18571351) has the molecular formula C20H13ClN2O3 and a molecular weight of 364.79 g/mol. Its IUPAC name is 4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
PubChem CID18571351
Molecular FormulaC20H13ClN2O3
Molecular Weight364.79 g/mol
Exact Mass364.06
IUPAC Name4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClN2O3/c21-13-7-5-12(6-8-13)19(24)22-14-9-10-17-15(11-14)20(25)23-16-3-1-2-4-18(16)26-17/h1-11H,(H,22,24)(H,23,25)
InChIKeySIGOZDDUHRNZOL-UHFFFAOYSA-N
XLogP4.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 18571394
3-bromo-N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 40947707
2-bromo-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 18571385
4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 40889144
N-[(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamothioyl]benzamide;(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)thiourea
CID 161493721
N-[(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamoyl]-N-sulfanylbenzamide
CID 87972577
8-amino-5H-benzo[b][1,4]benzoxazepin-6-one;N-[(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamothioyl]benzamide
CID 158654357
N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 40947636
2-(4-fluorophenyl)-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947389
N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide
CID 16801900
N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-methylbutanamide
CID 40947609
4-chloro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662497

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide?
The IUPAC name of 4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide (CID 18571351) is 4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide?
The canonical SMILES for 4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide is O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide?
The InChIKey is SIGOZDDUHRNZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O3/c21-13-7-5-12(6-8-13)19(24)22-14-9-10-17-15(11-14)20(25)23-16-3-1-2-4-18(16)26-17/h1-11H,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide?
4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide has a molecular weight of 364.79 g/mol, XLogP of 4.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide is sourced from PubChem (CID 18571351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).