(2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H22FN3O2 — CID 97246224

IUPAC(2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1cccn1C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-21-10-4-5-15(21)12-22(2)19(25)16-11-17(24)23(3)18(16)13-6-8-14(20)9-7-13/h4-10,16,18H,11-12H2,1-3H3/t16-,18+/m0/s1
InChIKeyFRJUNWZRCCZKRU-FUHWJXTLSA-N
MW343.40 g/mol
LogP2.34
Rot. Bonds4

About (2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97246224) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97246224
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1cccn1C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-21-10-4-5-15(21)12-22(2)19(25)16-11-17(24)23(3)18(16)13-6-8-14(20)9-7-13/h4-10,16,18H,11-12H2,1-3H3/t16-,18+/m0/s1
InChIKeyFRJUNWZRCCZKRU-FUHWJXTLSA-N
XLogP2.34
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 97246224) is (2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CN(Cc1cccn1C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FRJUNWZRCCZKRU-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-21-10-4-5-15(21)12-22(2)19(25)16-11-17(24)23(3)18(16)13-6-8-14(20)9-7-13/h4-10,16,18H,11-12H2,1-3H3/t16-,18+/m0/s1.
What are the key properties of (2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97246224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).