N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide

C14H17FN2O — CID 119302147

IUPACN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCc2c(F)cccc21)C1CCCN1
InChIInChI=1S/C14H17FN2O/c15-11-4-1-3-10-9(11)6-7-12(10)17-14(18)13-5-2-8-16-13/h1,3-4,12-13,16H,2,5-8H2,(H,17,18)
InChIKeyVKDQTGWZNZPHFZ-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.68
Rot. Bonds2

About N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide

N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide (PubChem CID 119302147) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
PubChem CID119302147
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCc2c(F)cccc21)C1CCCN1
InChIInChI=1S/C14H17FN2O/c15-11-4-1-3-10-9(11)6-7-12(10)17-14(18)13-5-2-8-16-13/h1,3-4,12-13,16H,2,5-8H2,(H,17,18)
InChIKeyVKDQTGWZNZPHFZ-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119317722
N-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 42885854
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975454
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 59415524
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119291322
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119323965
3-(dimethylamino)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide
CID 166285451
N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 175917854
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
CID 86838302
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyridine-2-carboxamide
CID 47380307

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide (CID 119302147) is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide is O=C(NC1CCc2c(F)cccc21)C1CCCN1.
What is the InChIKey of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide?
The InChIKey is VKDQTGWZNZPHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-11-4-1-3-10-9(11)6-7-12(10)17-14(18)13-5-2-8-16-13/h1,3-4,12-13,16H,2,5-8H2,(H,17,18).
What are the key properties of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide?
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 248.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119302147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).