N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide

C14H19FN2O — CID 81349399

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-9-7-16-8-13(9)14(18)17-10(2)11-3-5-12(15)6-4-11/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,17,18)/t9?,10-,13?/m1/s1
InChIKeySFRLFAWRVQIYGU-RUETXSTFSA-N
MW250.32 g/mol
LogP1.86
Rot. Bonds3

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 81349399) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID81349399
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-9-7-16-8-13(9)14(18)17-10(2)11-3-5-12(15)6-4-11/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,17,18)/t9?,10-,13?/m1/s1
InChIKeySFRLFAWRVQIYGU-RUETXSTFSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide
CID 63715437
N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63715441
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63714822
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81371897
6-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81351475
N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81400915
N-[1-(2-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55228822
N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55229579
(3S,4R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46215623
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
3-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]pyrazolidine-4-carboxamide
CID 73277683
cis-(1S,2R)-2-methyl-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51416074

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide (CID 81349399) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is SFRLFAWRVQIYGU-RUETXSTFSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-7-16-8-13(9)14(18)17-10(2)11-3-5-12(15)6-4-11/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,17,18)/t9?,10-,13?/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 81349399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).