(7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate

C11H11FN2O3 — CID 175054373

IUPAC(7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate
SMILESNC(=O)OC1CC(=O)Nc2ccc(F)cc2C1
InChIInChI=1S/C11H11FN2O3/c12-7-1-2-9-6(3-7)4-8(17-11(13)16)5-10(15)14-9/h1-3,8H,4-5H2,(H2,13,16)(H,14,15)
InChIKeyWXUDHGOYEBYRNY-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.17
Rot. Bonds1

About (7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate

(7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate (PubChem CID 175054373) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is (7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate.

Molecular Properties

Compound Name(7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate
PubChem CID175054373
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name(7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate
SMILESNC(=O)OC1CC(=O)Nc2ccc(F)cc2C1
InChIInChI=1S/C11H11FN2O3/c12-7-1-2-9-6(3-7)4-8(17-11(13)16)5-10(15)14-9/h1-3,8H,4-5H2,(H2,13,16)(H,14,15)
InChIKeyWXUDHGOYEBYRNY-UHFFFAOYSA-N
XLogP1.17
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate
CID 126796897
8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid
CID 82158832
7-chloro-4-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 138688043
2-amino-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 142795120
5-amino-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82401386
3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 10609540
(4-fluorophenyl)methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101048
6-fluoro-1,2,3,4-tetrahydroquinolin-3-ol
CID 83752604
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
7-fluoro-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 123421201
N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate?
The IUPAC name of (7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate (CID 175054373) is (7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate.
What is the SMILES notation for (7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate?
The canonical SMILES for (7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate is NC(=O)OC1CC(=O)Nc2ccc(F)cc2C1.
What is the InChIKey of (7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate?
The InChIKey is WXUDHGOYEBYRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-7-1-2-9-6(3-7)4-8(17-11(13)16)5-10(15)14-9/h1-3,8H,4-5H2,(H2,13,16)(H,14,15).
What are the key properties of (7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate?
(7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate has a molecular weight of 238.22 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-4-yl) carbamate is sourced from PubChem (CID 175054373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).