3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide

C16H19FN2O2 — CID 51496460

IUPAC3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2CCCOC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H19FN2O2/c1-2-12-13-8-10(17)5-6-14(13)19-15(12)16(20)18-11-4-3-7-21-9-11/h5-6,8,11,19H,2-4,7,9H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyCQNRADQYOOXUCO-LLVKDONJSA-N
MW290.34 g/mol
LogP2.78
Rot. Bonds3

About 3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide

3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide (PubChem CID 51496460) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
PubChem CID51496460
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2CCCOC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H19FN2O2/c1-2-12-13-8-10(17)5-6-14(13)19-15(12)16(20)18-11-4-3-7-21-9-11/h5-6,8,11,19H,2-4,7,9H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyCQNRADQYOOXUCO-LLVKDONJSA-N
XLogP2.78
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-3-methyl-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
CID 51497846
3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide
CID 91772747
ethyl 3-ethyl-5-fluoro-1H-indole-2-carboxylate
CID 18986264
5-ethoxy-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
CID 51496458
3-ethyl-5-fluoro-N-(3-pyridin-2-ylpropyl)-1H-indole-2-carboxamide
CID 110245210
6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide
CID 99825619
N-[1-(4-fluorophenyl)propyl]oxan-3-amine
CID 63360091
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide
CID 91827723
3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide
CID 63362445
N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205089
3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide
CID 166236895
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 31883592

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide (CID 51496460) is 3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide is CCc1c(C(=O)N[C@@H]2CCCOC2)[nH]c2ccc(F)cc12.
What is the InChIKey of 3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide?
The InChIKey is CQNRADQYOOXUCO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-12-13-8-10(17)5-6-14(13)19-15(12)16(20)18-11-4-3-7-21-9-11/h5-6,8,11,19H,2-4,7,9H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide?
3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 51496460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).