3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide

C23H23FN2O2 — CID 170094940

IUPAC3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCc1ccc(COCc2ccc3[nH]cc(NC(=O)C45CC(F)(C4)C5)c3c2)cc1
InChIInChI=1S/C23H23FN2O2/c1-15-2-4-16(5-3-15)10-28-11-17-6-7-19-18(8-17)20(9-25-19)26-21(27)22-12-23(24,13-22)14-22/h2-9,25H,10-14H2,1H3,(H,26,27)
InChIKeyINDGHWTYJSVELC-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.02
Rot. Bonds6

About 3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide

3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 170094940) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID170094940
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCc1ccc(COCc2ccc3[nH]cc(NC(=O)C45CC(F)(C4)C5)c3c2)cc1
InChIInChI=1S/C23H23FN2O2/c1-15-2-4-16(5-3-15)10-28-11-17-6-7-19-18(8-17)20(9-25-19)26-21(27)22-12-23(24,13-22)14-22/h2-9,25H,10-14H2,1H3,(H,26,27)
InChIKeyINDGHWTYJSVELC-UHFFFAOYSA-N
XLogP5.02
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide with MolForge

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Related Compounds

(2R)-4-fluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
CID 170059439
N-[5-[[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methoxymethyl]-1H-indol-3-yl]acetamide
CID 167468036
N-(5-cyclobutyloxy-1H-indol-3-yl)-1-fluorocyclopropane-1-carboxamide
CID 167468016
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide
CID 167468240
(4S)-4-cyano-N-[5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1H-indol-3-yl]hepta-5,6-dienamide
CID 168986808
3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167468164
1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167467668
tert-butyl N-[5-(2-hydroxypropyl)-1H-indol-3-yl]carbamate
CID 167467699
N-(6-methyl-1H-indol-3-yl)butanamide
CID 175196130
1H-indol-3-ylcarbamic acid
CID 66672709
4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
CID 170059611
N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide
CID 167467546

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide (CID 170094940) is 3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide is Cc1ccc(COCc2ccc3[nH]cc(NC(=O)C45CC(F)(C4)C5)c3c2)cc1.
What is the InChIKey of 3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is INDGHWTYJSVELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-15-2-4-16(5-3-15)10-28-11-17-6-7-19-18(8-17)20(9-25-19)26-21(27)22-12-23(24,13-22)14-22/h2-9,25H,10-14H2,1H3,(H,26,27).
What are the key properties of 3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[(4-methylphenyl)methoxymethyl]-1H-indol-3-yl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 170094940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).