2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide

C22H23FN2O4 — CID 75489109

IUPAC2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
SMILESCOc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCc1cccc(F)c1)C=C2
InChIInChI=1S/C22H23FN2O4/c1-28-19-11-16-7-9-25(22(27)13-17(16)12-20(19)29-2)14-21(26)24-8-6-15-4-3-5-18(23)10-15/h3-5,7,9-12H,6,8,13-14H2,1-2H3,(H,24,26)
InChIKeyFJKGDZOKRXQJLX-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.56
Rot. Bonds7

About 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide

2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide (PubChem CID 75489109) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
PubChem CID75489109
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
SMILESCOc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCc1cccc(F)c1)C=C2
InChIInChI=1S/C22H23FN2O4/c1-28-19-11-16-7-9-25(22(27)13-17(16)12-20(19)29-2)14-21(26)24-8-6-15-4-3-5-18(23)10-15/h3-5,7,9-12H,6,8,13-14H2,1-2H3,(H,24,26)
InChIKeyFJKGDZOKRXQJLX-UHFFFAOYSA-N
XLogP2.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 18118760
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]acetamide
CID 60502651
2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
CID 71826016
3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118791
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41365243
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602
N-[2-(3-fluorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 18100521
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 60868325
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 26120183

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide (CID 75489109) is 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide is COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCc1cccc(F)c1)C=C2.
What is the InChIKey of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide?
The InChIKey is FJKGDZOKRXQJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-28-19-11-16-7-9-25(22(27)13-17(16)12-20(19)29-2)14-21(26)24-8-6-15-4-3-5-18(23)10-15/h3-5,7,9-12H,6,8,13-14H2,1-2H3,(H,24,26).
What are the key properties of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide?
2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide has a molecular weight of 398.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 75489109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).