N-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide

C18H21FN2O2 — CID 168986857

IUPACN-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide
SMILESCCOc1ccc2[nH]cc(NC(=O)C3CC4C(C3)C4(C)F)c2c1
InChIInChI=1S/C18H21FN2O2/c1-3-23-11-4-5-15-12(8-11)16(9-20-15)21-17(22)10-6-13-14(7-10)18(13,2)19/h4-5,8-10,13-14,20H,3,6-7H2,1-2H3,(H,21,22)
InChIKeyYQGLPNCLBGPCLJ-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.89
Rot. Bonds4

About N-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide

N-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 168986857) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide
PubChem CID168986857
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide
SMILESCCOc1ccc2[nH]cc(NC(=O)C3CC4C(C3)C4(C)F)c2c1
InChIInChI=1S/C18H21FN2O2/c1-3-23-11-4-5-15-12(8-11)16(9-20-15)21-17(22)10-6-13-14(7-10)18(13,2)19/h4-5,8-10,13-14,20H,3,6-7H2,1-2H3,(H,21,22)
InChIKeyYQGLPNCLBGPCLJ-UHFFFAOYSA-N
XLogP3.89
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167468164
3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167467588
N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 167467705
N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide
CID 167467458
4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
CID 170059611
N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 167467692
N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene
CID 167467905
1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278313
1-(2,2,2-trifluoroethyl)-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167468292
5-ethoxy-3-methyl-1H-indole
CID 82490542
N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide
CID 167468016
3-(5-ethoxy-1H-indol-3-yl)butanoic acid
CID 82277509

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide (CID 168986857) is N-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide is CCOc1ccc2[nH]cc(NC(=O)C3CC4C(C3)C4(C)F)c2c1.
What is the InChIKey of N-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is YQGLPNCLBGPCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-3-23-11-4-5-15-12(8-11)16(9-20-15)21-17(22)10-6-13-14(7-10)18(13,2)19/h4-5,8-10,13-14,20H,3,6-7H2,1-2H3,(H,21,22).
What are the key properties of N-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide?
N-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-1H-indol-3-yl)-6-fluoro-6-methylbicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 168986857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).