4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide

C17H14BrFN2O2 — CID 154848500

IUPAC4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide
SMILESO=C1CCCc2ccc(NC(=O)c3ccc(Br)cc3F)cc2N1
InChIInChI=1S/C17H14BrFN2O2/c18-11-5-7-13(14(19)8-11)17(23)20-12-6-4-10-2-1-3-16(22)21-15(10)9-12/h4-9H,1-3H2,(H,20,23)(H,21,22)
InChIKeySLEWIMBKGCVQTO-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.12
Rot. Bonds2

About 4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide

4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide (PubChem CID 154848500) has the molecular formula C17H14BrFN2O2 and a molecular weight of 377.21 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide
PubChem CID154848500
Molecular FormulaC17H14BrFN2O2
Molecular Weight377.21 g/mol
Exact Mass376.02
IUPAC Name4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide
SMILESO=C1CCCc2ccc(NC(=O)c3ccc(Br)cc3F)cc2N1
InChIInChI=1S/C17H14BrFN2O2/c18-11-5-7-13(14(19)8-11)17(23)20-12-6-4-10-2-1-3-16(22)21-15(10)9-12/h4-9H,1-3H2,(H,20,23)(H,21,22)
InChIKeySLEWIMBKGCVQTO-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
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4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
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8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
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CID 9072559
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide (CID 154848500) is 4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide is O=C1CCCc2ccc(NC(=O)c3ccc(Br)cc3F)cc2N1.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide?
The InChIKey is SLEWIMBKGCVQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O2/c18-11-5-7-13(14(19)8-11)17(23)20-12-6-4-10-2-1-3-16(22)21-15(10)9-12/h4-9H,1-3H2,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide?
4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide has a molecular weight of 377.21 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-8-yl)benzamide is sourced from PubChem (CID 154848500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).