(2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide

C17H21FN2O2 — CID 166281403

IUPAC(2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@@H]1C(=O)N(c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C17H21FN2O2/c1-12(21)19-11-3-6-16(19)17(22)20(14-4-2-5-14)15-9-7-13(18)8-10-15/h7-10,14,16H,2-6,11H2,1H3/t16-/m1/s1
InChIKeyCGNSFZXHVTWHDO-MRXNPFEDSA-N
MW304.37 g/mol
LogP2.72
Rot. Bonds3

About (2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide

(2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 166281403) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is (2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID166281403
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name(2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@@H]1C(=O)N(c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C17H21FN2O2/c1-12(21)19-11-3-6-16(19)17(22)20(14-4-2-5-14)15-9-7-13(18)8-10-15/h7-10,14,16H,2-6,11H2,1H3/t16-/m1/s1
InChIKeyCGNSFZXHVTWHDO-MRXNPFEDSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 66853345
N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide
CID 142662405
(2S)-1-[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 101411336
N-(4-fluorophenyl)-N-[1-(4-oxocyclohexyl)piperidin-4-yl]acetamide
CID 59434297
tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane
CID 143303337
1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 4595418
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 46047958
(2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 125447070
1-acetyl-N-[(2-chloro-4-fluorophenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 42793397
methyl N-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate
CID 11952279
(2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90268843
[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl 1-acetylpyrrolidine-2-carboxylate
CID 42922268

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide (CID 166281403) is (2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@@H]1C(=O)N(c1ccc(F)cc1)C1CCC1.
What is the InChIKey of (2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is CGNSFZXHVTWHDO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-12(21)19-11-3-6-16(19)17(22)20(14-4-2-5-14)15-9-7-13(18)8-10-15/h7-10,14,16H,2-6,11H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide?
(2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166281403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).