(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C22H26FN3O3 — CID 9167623

IUPAC(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)N(C)C)cc1
InChIInChI=1S/C22H26FN3O3/c1-25(2)20(15-8-10-17(29-3)11-9-15)13-24-22(28)16-12-21(27)26(14-16)19-7-5-4-6-18(19)23/h4-11,16,20H,12-14H2,1-3H3,(H,24,28)/t16-,20-/m1/s1
InChIKeyFUKVAQIGZHSSLX-OXQOHEQNSA-N
MW399.47 g/mol
LogP2.61
Rot. Bonds7

About (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9167623) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9167623
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)N(C)C)cc1
InChIInChI=1S/C22H26FN3O3/c1-25(2)20(15-8-10-17(29-3)11-9-15)13-24-22(28)16-12-21(27)26(14-16)19-7-5-4-6-18(19)23/h4-11,16,20H,12-14H2,1-3H3,(H,24,28)/t16-,20-/m1/s1
InChIKeyFUKVAQIGZHSSLX-OXQOHEQNSA-N
XLogP2.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237470
1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 47006883
1-(2-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55329328
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55337484
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55949729
1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 46592191
(3S)-N-[2-(4-fluorophenoxy)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 37362337
1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
tert-butyl N-[2-[[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 39351871
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 17447079
N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119529526

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 9167623) is (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)N(C)C)cc1.
What is the InChIKey of (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FUKVAQIGZHSSLX-OXQOHEQNSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-25(2)20(15-8-10-17(29-3)11-9-15)13-24-22(28)16-12-21(27)26(14-16)19-7-5-4-6-18(19)23/h4-11,16,20H,12-14H2,1-3H3,(H,24,28)/t16-,20-/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9167623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).