7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C17H17FN2O — CID 43342867

IUPAC7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESNC(c1ccc2c(c1)CCCC(=O)N2)c1ccccc1F
InChIInChI=1S/C17H17FN2O/c18-14-6-2-1-5-13(14)17(19)12-8-9-15-11(10-12)4-3-7-16(21)20-15/h1-2,5-6,8-10,17H,3-4,7,19H2,(H,20,21)
InChIKeyNAFAYXUYORYZEM-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.15
Rot. Bonds2

About 7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 43342867) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID43342867
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESNC(c1ccc2c(c1)CCCC(=O)N2)c1ccccc1F
InChIInChI=1S/C17H17FN2O/c18-14-6-2-1-5-13(14)17(19)12-8-9-15-11(10-12)4-3-7-16(21)20-15/h1-2,5-6,8-10,17H,3-4,7,19H2,(H,20,21)
InChIKeyNAFAYXUYORYZEM-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanamine
CID 43115579
7-[amino-(4-chlorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342872
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
7-[amino-(5-bromofuran-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43464756
7-[bromo-(2-iodophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61096575
7-[chloro(phenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086259
7-(1-amino-3,3,3-trifluoropropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165286
7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 62277824
7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342875
7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082022
7-[amino-(3-methylthiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43464752
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937

Frequently Asked Questions

What is the IUPAC name of 7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 43342867) is 7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is NC(c1ccc2c(c1)CCCC(=O)N2)c1ccccc1F.
What is the InChIKey of 7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is NAFAYXUYORYZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-6-2-1-5-13(14)17(19)12-8-9-15-11(10-12)4-3-7-16(21)20-15/h1-2,5-6,8-10,17H,3-4,7,19H2,(H,20,21).
What are the key properties of 7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 284.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 43342867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).