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

C17H16FNO2 — CID 61082022

IUPAC7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(C(O)c3cccc(F)c3)ccc2N1
InChIInChI=1S/C17H16FNO2/c18-14-5-1-4-12(10-14)17(21)13-7-8-15-11(9-13)3-2-6-16(20)19-15/h1,4-5,7-10,17,21H,2-3,6H2,(H,19,20)
InChIKeyPTHCSDYGEWHUSY-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.18
Rot. Bonds2

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

7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 61082022) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID61082022
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(C(O)c3cccc(F)c3)ccc2N1
InChIInChI=1S/C17H16FNO2/c18-14-5-1-4-12(10-14)17(21)13-7-8-15-11(9-13)3-2-6-16(20)19-15/h1,4-5,7-10,17,21H,2-3,6H2,(H,19,20)
InChIKeyPTHCSDYGEWHUSY-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61088889
6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083566
7-[chloro(phenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086259
5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61087937
5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61087016
7-[bromo-(3-iodophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 63442904
6-[(3-chloro-2-fluorophenyl)-hydroxymethyl]-3,4-dihydro-1H-quinolin-2-one
CID 81264995
7-[(4,5-dimethylthiophen-2-yl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 65238894
7-[amino-(2-fluorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342867
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082820
6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086798

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 61082022) is 7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1CCCc2cc(C(O)c3cccc(F)c3)ccc2N1.
What is the InChIKey of 7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is PTHCSDYGEWHUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-14-5-1-4-12(10-14)17(21)13-7-8-15-11(9-13)3-2-6-16(20)19-15/h1,4-5,7-10,17,21H,2-3,6H2,(H,19,20).
What are the key properties of 7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 61082022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).