1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide

C24H30FN3O — CID 110621560

IUPAC1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)C1CCCN1Cc1ccccc1F
InChIInChI=1S/C24H30FN3O/c25-21-12-5-4-11-20(21)18-28-16-8-13-22(28)24(29)26-17-23(27-14-6-7-15-27)19-9-2-1-3-10-19/h1-5,9-12,22-23H,6-8,13-18H2,(H,26,29)
InChIKeyFWIZBYISQABURU-UHFFFAOYSA-N
MW395.52 g/mol
LogP3.74
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide

1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 110621560) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
PubChem CID110621560
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)C1CCCN1Cc1ccccc1F
InChIInChI=1S/C24H30FN3O/c25-21-12-5-4-11-20(21)18-28-16-8-13-22(28)24(29)26-17-23(27-14-6-7-15-27)19-9-2-1-3-10-19/h1-5,9-12,22-23H,6-8,13-18H2,(H,26,29)
InChIKeyFWIZBYISQABURU-UHFFFAOYSA-N
XLogP3.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 110620590
N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 110620905
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
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(2S)-2-benzyl-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 125136876
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 110632719
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133234574
(2R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-cyclopropylpyrrolidine-2-carboxamide
CID 99799120
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide (CID 110621560) is 1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide is O=C(NCC(c1ccccc1)N1CCCC1)C1CCCN1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is FWIZBYISQABURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c25-21-12-5-4-11-20(21)18-28-16-8-13-22(28)24(29)26-17-23(27-14-6-7-15-27)19-9-2-1-3-10-19/h1-5,9-12,22-23H,6-8,13-18H2,(H,26,29).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 395.52 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110621560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).