6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide

C13H13FN2O2 — CID 99825619

IUPAC6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide
SMILESO=C(N[C@@H]1CCOC1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C13H13FN2O2/c14-8-1-2-10-11(6-15-12(10)5-8)13(17)16-9-3-4-18-7-9/h1-2,5-6,9,15H,3-4,7H2,(H,16,17)/t9-/m1/s1
InChIKeyGYPFUNUKTJNNST-SECBINFHSA-N
MW248.26 g/mol
LogP1.83
Rot. Bonds2

About 6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide

6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide (PubChem CID 99825619) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide
PubChem CID99825619
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide
SMILESO=C(N[C@@H]1CCOC1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C13H13FN2O2/c14-8-1-2-10-11(6-15-12(10)5-8)13(17)16-9-3-4-18-7-9/h1-2,5-6,9,15H,3-4,7H2,(H,16,17)/t9-/m1/s1
InChIKeyGYPFUNUKTJNNST-SECBINFHSA-N
XLogP1.83
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide
CID 80717046
5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide
CID 172654541
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide
CID 80717470
6-fluoro-3-[(3R)-oxolan-3-yl]-1H-indole
CID 124928109
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
(1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
CID 104518074
1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154926
3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
CID 107121271
6-fluoro-N-(2-morpholin-4-ylphenyl)-1H-indole-3-carboxamide
CID 113206299
(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84695539

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide?
The IUPAC name of 6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide (CID 99825619) is 6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide is O=C(N[C@@H]1CCOC1)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide?
The InChIKey is GYPFUNUKTJNNST-SECBINFHSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-8-1-2-10-11(6-15-12(10)5-8)13(17)16-9-3-4-18-7-9/h1-2,5-6,9,15H,3-4,7H2,(H,16,17)/t9-/m1/s1.
What are the key properties of 6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide?
6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 99825619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).