(6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide

C15H11BrN2O2 — CID 95162157

IUPAC(6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2C(=O)[C@H](Br)c2ccccc21
InChIInChI=1S/C15H11BrN2O2/c16-13-9-5-1-3-7-11(9)18(15(17)20)12-8-4-2-6-10(12)14(13)19/h1-8,13H,(H2,17,20)/t13-/m1/s1
InChIKeyPMENNHUFHRUBMF-CYBMUJFWSA-N
MW331.17 g/mol
LogP3.54
Rot. Bonds

About (6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide

(6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide (PubChem CID 95162157) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is (6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound Name(6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
PubChem CID95162157
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name(6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2C(=O)[C@H](Br)c2ccccc21
InChIInChI=1S/C15H11BrN2O2/c16-13-9-5-1-3-7-11(9)18(15(17)20)12-8-4-2-6-10(12)14(13)19/h1-8,13H,(H2,17,20)/t13-/m1/s1
InChIKeyPMENNHUFHRUBMF-CYBMUJFWSA-N
XLogP3.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 143893495
(6R)-6-bromo-6H-benzo[b][1]benzothiepin-5-one
CID 6543903
3-selena-4,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene-13-carboxamide
CID 102220693
5-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
CID 14306227
4-oxo-2,3-dihydroquinazoline-1-carboxamide
CID 23023743
(3R)-1-ethyl-2,4-dioxoquinoline-3-carboxylate
CID 7020698
tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate
CID 138974953
5-ethoxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
CID 2847675
3-methyl-1-propanoyl-3H-indol-2-one
CID 145119446
3-bromo-1-methyl-2,3-dihydroquinolin-4-one
CID 171063228
[(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl]methyl formate
CID 121244798
(2R,4R)-3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carbonyl chloride
CID 92860598

Frequently Asked Questions

What is the IUPAC name of (6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of (6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide (CID 95162157) is (6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for (6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for (6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide is NC(=O)N1c2ccccc2C(=O)[C@H](Br)c2ccccc21.
What is the InChIKey of (6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide?
The InChIKey is PMENNHUFHRUBMF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c16-13-9-5-1-3-7-11(9)18(15(17)20)12-8-4-2-6-10(12)14(13)19/h1-8,13H,(H2,17,20)/t13-/m1/s1.
What are the key properties of (6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide?
(6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide has a molecular weight of 331.17 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 95162157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).