4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide

C15H19FN2O2 — CID 83066162

IUPAC4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(NCC2CCCO2)CCc2c(F)cccc21
InChIInChI=1S/C15H19FN2O2/c16-13-5-1-4-12-11(13)6-7-15(12,14(17)19)18-9-10-3-2-8-20-10/h1,4-5,10,18H,2-3,6-9H2,(H2,17,19)
InChIKeyRFRJDGRNQMBXLW-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.22
Rot. Bonds4

About 4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide

4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide (PubChem CID 83066162) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide
PubChem CID83066162
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(NCC2CCCO2)CCc2c(F)cccc21
InChIInChI=1S/C15H19FN2O2/c16-13-5-1-4-12-11(13)6-7-15(12,14(17)19)18-9-10-3-2-8-20-10/h1,4-5,10,18H,2-3,6-9H2,(H2,17,19)
InChIKeyRFRJDGRNQMBXLW-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxolan-2-ylmethylamino)-1,3-dihydroisochromene-4-carboxamide
CID 107149776
1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid
CID 60992597
1-(2-bromoanilino)-4-fluoro-2,3-dihydroindene-1-carboxamide
CID 83065984
N-(2,6-difluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 43405257
ethyl 4-fluoro-1-(propan-2-ylamino)-2,3-dihydroindene-1-carboxylate
CID 83066332
1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide
CID 97222999
2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 81269052
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145
8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-oxetane]
CID 84619079
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866432
2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 75431188
2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline
CID 107598059

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide (CID 83066162) is 4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide is NC(=O)C1(NCC2CCCO2)CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide?
The InChIKey is RFRJDGRNQMBXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-13-5-1-4-12-11(13)6-7-15(12,14(17)19)18-9-10-3-2-8-20-10/h1,4-5,10,18H,2-3,6-9H2,(H2,17,19).
What are the key properties of 4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide?
4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 83066162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).