5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide

C20H17FN2O3 — CID 46557541

IUPAC5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C20H17FN2O3/c21-13-3-5-15-12(9-13)10-16(23-15)19(24)22-14-4-6-17-18(11-14)26-20(25-17)7-1-2-8-20/h3-6,9-11,23H,1-2,7-8H2,(H,22,24)
InChIKeyKHPSIKVJTPACEX-UHFFFAOYSA-N
MW352.37 g/mol
LogP4.60
Rot. Bonds2

About 5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide

5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide (PubChem CID 46557541) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide
PubChem CID46557541
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C20H17FN2O3/c21-13-3-5-15-12(9-13)10-16(23-15)19(24)22-14-4-6-17-18(11-14)26-20(25-17)7-1-2-8-20/h3-6,9-11,23H,1-2,7-8H2,(H,22,24)
InChIKeyKHPSIKVJTPACEX-UHFFFAOYSA-N
XLogP4.60
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide
CID 42280319
6-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-indole-2-carboxamide
CID 39984319
6-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78904017
4-[(4-fluorophenyl)sulfonylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280599
4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide
CID 24647250
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
3-fluoro-4-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26707616
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
2-(3-fluorophenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 42280231
3-(4-fluorophenyl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
CID 112764858
5-fluoro-N-quinolin-6-yl-1H-indole-2-carboxamide
CID 4905152

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide (CID 46557541) is 5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide is O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide?
The InChIKey is KHPSIKVJTPACEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-13-3-5-15-12(9-13)10-16(23-15)19(24)22-14-4-6-17-18(11-14)26-20(25-17)7-1-2-8-20/h3-6,9-11,23H,1-2,7-8H2,(H,22,24).
What are the key properties of 5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide?
5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 46557541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).