N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide

C16H20F2N2O3 — CID 167859157

IUPACN-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
SMILESCOc1ccc2c(c1)CCCN(C(=O)NC1COCC1(F)F)C2
InChIInChI=1S/C16H20F2N2O3/c1-22-13-5-4-12-8-20(6-2-3-11(12)7-13)15(21)19-14-9-23-10-16(14,17)18/h4-5,7,14H,2-3,6,8-10H2,1H3,(H,19,21)
InChIKeyZKLVBUCIUMSCJT-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.19
Rot. Bonds2

About N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide

N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide (PubChem CID 167859157) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
PubChem CID167859157
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC NameN-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
SMILESCOc1ccc2c(c1)CCCN(C(=O)NC1COCC1(F)F)C2
InChIInChI=1S/C16H20F2N2O3/c1-22-13-5-4-12-8-20(6-2-3-11(12)7-13)15(21)19-14-9-23-10-16(14,17)18/h4-5,7,14H,2-3,6,8-10H2,1H3,(H,19,21)
InChIKeyZKLVBUCIUMSCJT-UHFFFAOYSA-N
XLogP2.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide with MolForge

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 95335063
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
cis-(1S,2R)-N-[3-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 97091538
6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 119073274
methyl (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 95294682
1-[2-(4-methoxybenzoyl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]ethanone
CID 90881725
2,2,2-trifluoro-1-(5-methoxy-1,3-dihydroisoindol-2-yl)ethanone
CID 170005081
N-(4,4-dimethyloxolan-3-yl)-8-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 132970938
5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one
CID 71925487
phenyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110726098
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-5-methoxy-1,3-dihydroisoindole-2-carboxamide
CID 138004668

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide?
The IUPAC name of N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide (CID 167859157) is N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide.
What is the SMILES notation for N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide?
The canonical SMILES for N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide is COc1ccc2c(c1)CCCN(C(=O)NC1COCC1(F)F)C2.
What is the InChIKey of N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide?
The InChIKey is ZKLVBUCIUMSCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-22-13-5-4-12-8-20(6-2-3-11(12)7-13)15(21)19-14-9-23-10-16(14,17)18/h4-5,7,14H,2-3,6,8-10H2,1H3,(H,19,21).
What are the key properties of N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide?
N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide has a molecular weight of 326.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorooxolan-3-yl)-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide is sourced from PubChem (CID 167859157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).