3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one

C19H18FNO3 — CID 71709298

IUPAC3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one
SMILESCOc1cc2c(cc1OC)CC(=O)N(Cc1cccc(F)c1)C=C2
InChIInChI=1S/C19H18FNO3/c1-23-17-9-14-6-7-21(12-13-4-3-5-16(20)8-13)19(22)11-15(14)10-18(17)24-2/h3-10H,11-12H2,1-2H3
InChIKeyYTUZEPCJRJGVBS-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.40
Rot. Bonds4

About 3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one

3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one (PubChem CID 71709298) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one
PubChem CID71709298
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one
SMILESCOc1cc2c(cc1OC)CC(=O)N(Cc1cccc(F)c1)C=C2
InChIInChI=1S/C19H18FNO3/c1-23-17-9-14-6-7-21(12-13-4-3-5-16(20)8-13)19(22)11-15(14)10-18(17)24-2/h3-10H,11-12H2,1-2H3
InChIKeyYTUZEPCJRJGVBS-UHFFFAOYSA-N
XLogP3.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 75489109
3-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)propylchloranium
CID 144748292
7,8-dimethoxy-3-pentyl-1H-3-benzazepin-2-one
CID 123825761
7,8-dimethoxy-3-(3-phenylprop-2-enyl)-1H-3-benzazepin-2-one
CID 71826933
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
3-[3-[5-(3,4-dimethoxyphenyl)pentyl-methylamino]propyl]-7,8-dimethoxy-1H-3-benzazepin-2-one
CID 13319937
(6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one
CID 72725322
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
CID 10293339
7,8-dimethoxy-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1H-3-benzazepin-2-one
CID 19804058
1-(4-bromo-3-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
CID 121479507
1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286781
(2S)-2-[[4-fluoro-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 156583278

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one (CID 71709298) is 3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one is COc1cc2c(cc1OC)CC(=O)N(Cc1cccc(F)c1)C=C2.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one?
The InChIKey is YTUZEPCJRJGVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-23-17-9-14-6-7-21(12-13-4-3-5-16(20)8-13)19(22)11-15(14)10-18(17)24-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one?
3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one has a molecular weight of 327.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one is sourced from PubChem (CID 71709298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).