8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid

C11H10FNO3 — CID 82158832

IUPAC8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid
SMILESO=C1CC(C(=O)O)Cc2ccc(F)cc2N1
InChIInChI=1S/C11H10FNO3/c12-8-2-1-6-3-7(11(15)16)4-10(14)13-9(6)5-8/h1-2,5,7H,3-4H2,(H,13,14)(H,15,16)
InChIKeyBZEKNAAFDLLPGT-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.41
Rot. Bonds1

About 8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid

8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid (PubChem CID 82158832) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid
PubChem CID82158832
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid
SMILESO=C1CC(C(=O)O)Cc2ccc(F)cc2N1
InChIInChI=1S/C11H10FNO3/c12-8-2-1-6-3-7(11(15)16)4-10(14)13-9(6)5-8/h1-2,5,7H,3-4H2,(H,13,14)(H,15,16)
InChIKeyBZEKNAAFDLLPGT-UHFFFAOYSA-N
XLogP1.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124583906
methyl (3S,4R)-8-fluoro-3-hydroxy-2-oxo-4-phenyl-4,5-dihydro-1H-1-benzazepine-3-carboxylate
CID 58997959
5,7-difluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
CID 142301727
(7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate
CID 175054373
(3S)-2-[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125132896
2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 142795120
N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489
(2S)-2-[[(3S,4R)-8-fluoro-2-oxo-4-phenyl-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]propanamide
CID 69362109
1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 97311297
(4R)-4-(4-benzoylpiperidine-1-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 41310381
2-(7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-5-yl)acetic acid
CID 82389067
7-fluoro-4-propyl-3,4-dihydro-1H-quinolin-2-one
CID 105460306

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid?
The IUPAC name of 8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid (CID 82158832) is 8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid.
What is the SMILES notation for 8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid?
The canonical SMILES for 8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid is O=C1CC(C(=O)O)Cc2ccc(F)cc2N1.
What is the InChIKey of 8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid?
The InChIKey is BZEKNAAFDLLPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-8-2-1-6-3-7(11(15)16)4-10(14)13-9(6)5-8/h1-2,5,7H,3-4H2,(H,13,14)(H,15,16).
What are the key properties of 8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid?
8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid is sourced from PubChem (CID 82158832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).