2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide

C20H23FN2O2 — CID 11302300

IUPAC2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide
SMILESCC(C(N)=O)N1CCc2ccc(OCc3cccc(F)c3)cc2CC1
InChIInChI=1S/C20H23FN2O2/c1-14(20(22)24)23-9-7-16-5-6-19(12-17(16)8-10-23)25-13-15-3-2-4-18(21)11-15/h2-6,11-12,14H,7-10,13H2,1H3,(H2,22,24)
InChIKeySYRPFDGADDSFBB-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.68
Rot. Bonds5

About 2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide

2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide (PubChem CID 11302300) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide.

Molecular Properties

Compound Name2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide
PubChem CID11302300
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide
SMILESCC(C(N)=O)N1CCc2ccc(OCc3cccc(F)c3)cc2CC1
InChIInChI=1S/C20H23FN2O2/c1-14(20(22)24)23-9-7-16-5-6-19(12-17(16)8-10-23)25-13-15-3-2-4-18(21)11-15/h2-6,11-12,14H,7-10,13H2,1H3,(H2,22,24)
InChIKeySYRPFDGADDSFBB-UHFFFAOYSA-N
XLogP2.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[6-[(3-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanamide
CID 69038301
[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate
CID 69292957
7-[(3-fluorophenyl)methoxy]-3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepine
CID 11152264
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
CID 47053789
(2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 95587276
ethyl 2-[6-[(3-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate
CID 69037826
7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine
CID 11437671
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
CID 3038502
3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide
CID 171869350
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]propanamide
CID 22641922
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 46508539

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide?
The IUPAC name of 2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide (CID 11302300) is 2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide.
What is the SMILES notation for 2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide?
The canonical SMILES for 2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide is CC(C(N)=O)N1CCc2ccc(OCc3cccc(F)c3)cc2CC1.
What is the InChIKey of 2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide?
The InChIKey is SYRPFDGADDSFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14(20(22)24)23-9-7-16-5-6-19(12-17(16)8-10-23)25-13-15-3-2-4-18(21)11-15/h2-6,11-12,14H,7-10,13H2,1H3,(H2,22,24).
What are the key properties of 2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide?
2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide has a molecular weight of 342.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide is sourced from PubChem (CID 11302300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).