N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C19H24FN3O2 — CID 119324599

IUPACN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(c2ccccc2F)C1=O)C1CC2CCCCC2N1
InChIInChI=1S/C19H24FN3O2/c20-13-6-2-4-8-17(13)23-10-9-15(19(23)25)22-18(24)16-11-12-5-1-3-7-14(12)21-16/h2,4,6,8,12,14-16,21H,1,3,5,7,9-11H2,(H,22,24)
InChIKeyXTBWLUQQJQKXBO-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.97
Rot. Bonds3

About N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119324599) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119324599
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(c2ccccc2F)C1=O)C1CC2CCCCC2N1
InChIInChI=1S/C19H24FN3O2/c20-13-6-2-4-8-17(13)23-10-9-15(19(23)25)22-18(24)16-11-12-5-1-3-7-14(12)21-16/h2,4,6,8,12,14-16,21H,1,3,5,7,9-11H2,(H,22,24)
InChIKeyXTBWLUQQJQKXBO-UHFFFAOYSA-N
XLogP1.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119332056
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119332055
N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119330157
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride
CID 119785285
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605
N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526242
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526243
3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122065578
tert-butyl N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamate
CID 95623664
N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119888760
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120793260
1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 95979904

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119324599) is N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is O=C(NC1CCN(c2ccccc2F)C1=O)C1CC2CCCCC2N1.
What is the InChIKey of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is XTBWLUQQJQKXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c20-13-6-2-4-8-17(13)23-10-9-15(19(23)25)22-18(24)16-11-12-5-1-3-7-14(12)21-16/h2,4,6,8,12,14-16,21H,1,3,5,7,9-11H2,(H,22,24).
What are the key properties of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119324599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).