5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one

C10H11FN2O — CID 82401385

IUPAC5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESNC1CCC(=O)Nc2c(F)cccc21
InChIInChI=1S/C10H11FN2O/c11-7-3-1-2-6-8(12)4-5-9(14)13-10(6)7/h1-3,8H,4-5,12H2,(H,13,14)
InChIKeyKUBYZZFZTBPZPC-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.56
Rot. Bonds

About 5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one

5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 82401385) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID82401385
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESNC1CCC(=O)Nc2c(F)cccc21
InChIInChI=1S/C10H11FN2O/c11-7-3-1-2-6-8(12)4-5-9(14)13-10(6)7/h1-3,8H,4-5,12H2,(H,13,14)
InChIKeyKUBYZZFZTBPZPC-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

4-(2-aminoethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 84621055
(5S)-5-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 96630122
(3R)-3-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51777322
3-amino-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 84618485
5-amino-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82401386
4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
CID 175262813
8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 105495990
7-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986686
6-fluoro-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 79290409
(3S)-3-amino-6-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129390859
5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82396585
(5S)-5-amino-8-(3-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 57067545

Frequently Asked Questions

What is the IUPAC name of 5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 82401385) is 5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one is NC1CCC(=O)Nc2c(F)cccc21.
What is the InChIKey of 5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is KUBYZZFZTBPZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-7-3-1-2-6-8(12)4-5-9(14)13-10(6)7/h1-3,8H,4-5,12H2,(H,13,14).
What are the key properties of 5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one?
5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 194.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-9-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 82401385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).