6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one

C21H14ClNO2 — CID 15656913

IUPAC6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one
SMILESO=C(c1cccc(Cl)c1)N1Cc2ccccc2-c2ccccc2C1=O
InChIInChI=1S/C21H14ClNO2/c22-16-8-5-7-14(12-16)20(24)23-13-15-6-1-2-9-17(15)18-10-3-4-11-19(18)21(23)25/h1-12H,13H2
InChIKeyYEBSKHMARJXEBV-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.80
Rot. Bonds1

About 6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one

6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one (PubChem CID 15656913) has the molecular formula C21H14ClNO2 and a molecular weight of 347.80 g/mol. Its IUPAC name is 6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one.

Molecular Properties

Compound Name6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one
PubChem CID15656913
Molecular FormulaC21H14ClNO2
Molecular Weight347.80 g/mol
Exact Mass347.07
IUPAC Name6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one
SMILESO=C(c1cccc(Cl)c1)N1Cc2ccccc2-c2ccccc2C1=O
InChIInChI=1S/C21H14ClNO2/c22-16-8-5-7-14(12-16)20(24)23-13-15-6-1-2-9-17(15)18-10-3-4-11-19(18)21(23)25/h1-12H,13H2
InChIKeyYEBSKHMARJXEBV-UHFFFAOYSA-N
XLogP4.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorobenzoyl)-3H-isoindol-1-one
CID 24763674
2-[1-[1-(3-chlorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-isoindol-1-one
CID 134797149
3-oxo-1H-isoindole-2-carboxylic acid;hydrochloride
CID 70554924
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
CID 70059373
2-(furan-2-carbonyl)-3H-isoindol-1-one
CID 102488354
2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide
CID 70059578
1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635357
[3-(3-chlorobenzoyl)-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]-(3-chlorophenyl)methanone
CID 134115730
2-(1,3-dioxoisoindol-2-yl)ethyl 3-chlorobenzoate
CID 2504001
2-(3-chlorobenzoyl)indene-1,3-dione
CID 22648334
2-[(Z)-3-(3-chlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]isoindole-1,3-dione
CID 66677509

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one?
The IUPAC name of 6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one (CID 15656913) is 6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one.
What is the SMILES notation for 6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one?
The canonical SMILES for 6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one is O=C(c1cccc(Cl)c1)N1Cc2ccccc2-c2ccccc2C1=O.
What is the InChIKey of 6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one?
The InChIKey is YEBSKHMARJXEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO2/c22-16-8-5-7-14(12-16)20(24)23-13-15-6-1-2-9-17(15)18-10-3-4-11-19(18)21(23)25/h1-12H,13H2.
What are the key properties of 6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one?
6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one has a molecular weight of 347.80 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one is sourced from PubChem (CID 15656913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).