8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

C20H16F2N2OS — CID 142512349

IUPAC8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
SMILESCN1CCc2cc(C(=O)Nc3ccccc3F)sc2-c2ccc(F)cc21
InChIInChI=1S/C20H16F2N2OS/c1-24-9-8-12-10-18(20(25)23-16-5-3-2-4-15(16)22)26-19(12)14-7-6-13(21)11-17(14)24/h2-7,10-11H,8-9H2,1H3,(H,23,25)
InChIKeyRMXOHPNAYVXRBX-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.94
Rot. Bonds2

About 8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 142512349) has the molecular formula C20H16F2N2OS and a molecular weight of 370.42 g/mol. Its IUPAC name is 8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
PubChem CID142512349
Molecular FormulaC20H16F2N2OS
Molecular Weight370.42 g/mol
Exact Mass370.10
IUPAC Name8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
SMILESCN1CCc2cc(C(=O)Nc3ccccc3F)sc2-c2ccc(F)cc21
InChIInChI=1S/C20H16F2N2OS/c1-24-9-8-12-10-18(20(25)23-16-5-3-2-4-15(16)22)26-19(12)14-7-6-13(21)11-17(14)24/h2-7,10-11H,8-9H2,1H3,(H,23,25)
InChIKeyRMXOHPNAYVXRBX-UHFFFAOYSA-N
XLogP4.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8,9-difluoro-6-methyl-N-(2,4,6-trifluorophenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 142512091
6-(4-aminobenzoyl)-8-fluoro-N-phenyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 137391360
[8-fluoro-2-[1-(2-methylanilino)ethenyl]-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl]-(4-methylphenyl)methanone
CID 142512188
4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407190
ethyl 6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxylate
CID 130248446
6-(4-aminobenzoyl)-8-fluoro-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxylic acid
CID 142512254
N-(2,4-difluorophenyl)-8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 3575107
8-fluoro-N-(2-fluoro-6-methylphenyl)-6-[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130249026
N-(2,6-dimethylphenyl)-8-fluoro-6-methyl-4,5-dihydro-1H-pyrrolo[3,2-d][1]benzazepine-2-carboxamide
CID 142512275
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
N-(2,4-difluoro-6-propan-2-ylphenyl)-8-fluoro-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;ethane;4-(methylamino)benzaldehyde;6-methyl-3-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazine-4-carbaldehyde
CID 142512227
N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 26522788

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The IUPAC name of 8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 142512349) is 8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.
What is the SMILES notation for 8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The canonical SMILES for 8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is CN1CCc2cc(C(=O)Nc3ccccc3F)sc2-c2ccc(F)cc21.
What is the InChIKey of 8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The InChIKey is RMXOHPNAYVXRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2OS/c1-24-9-8-12-10-18(20(25)23-16-5-3-2-4-15(16)22)26-19(12)14-7-6-13(21)11-17(14)24/h2-7,10-11H,8-9H2,1H3,(H,23,25).
What are the key properties of 8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is sourced from PubChem (CID 142512349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).