(3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide

C20H17F2N3O2 — CID 134412150

IUPAC(3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide
SMILESCn1ccc2ccc([C@H]3CNC(=O)[C@@H]3C(=O)Nc3cccc(F)c3F)cc21
InChIInChI=1S/C20H17F2N3O2/c1-25-8-7-11-5-6-12(9-16(11)25)13-10-23-19(26)17(13)20(27)24-15-4-2-3-14(21)18(15)22/h2-9,13,17H,10H2,1H3,(H,23,26)(H,24,27)/t13-,17-/m1/s1
InChIKeyHBOFROWXPLXOFC-CXAGYDPISA-N
MW369.37 g/mol
LogP2.92
Rot. Bonds3

About (3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide

(3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 134412150) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is (3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide
PubChem CID134412150
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name(3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide
SMILESCn1ccc2ccc([C@H]3CNC(=O)[C@@H]3C(=O)Nc3cccc(F)c3F)cc21
InChIInChI=1S/C20H17F2N3O2/c1-25-8-7-11-5-6-12(9-16(11)25)13-10-23-19(26)17(13)20(27)24-15-4-2-3-14(21)18(15)22/h2-9,13,17H,10H2,1H3,(H,23,26)(H,24,27)/t13-,17-/m1/s1
InChIKeyHBOFROWXPLXOFC-CXAGYDPISA-N
XLogP2.92
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-4-[3-(1,1-difluoroethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411708
(3R,4S)-4-[5-(difluoromethyl)thiophen-3-yl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412038
(3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412705
(3R,4S)-N-(2,3-difluorophenyl)-2-oxo-4-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 134412253
N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 158374692
(3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412184
(3R,4R)-N-(2,3-difluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 134412252
4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 170046491
N-(2,3-difluorophenyl)-4-[(6Z)-6-(2-methylpropylidene)cyclohexa-1,3-dien-1-yl]-2-oxopyrrolidine-3-carboxamide
CID 163801614
(3R,4S)-4-(3,4-dihydro-2H-chromen-6-yl)-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411803
(3S,4S)-N-(2,3-difluorophenyl)-4-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412202
(3R,4S)-4-(4-chloro-3-methylphenyl)-N-(2,4-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411721

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide (CID 134412150) is (3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide is Cn1ccc2ccc([C@H]3CNC(=O)[C@@H]3C(=O)Nc3cccc(F)c3F)cc21.
What is the InChIKey of (3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is HBOFROWXPLXOFC-CXAGYDPISA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-25-8-7-11-5-6-12(9-16(11)25)13-10-23-19(26)17(13)20(27)24-15-4-2-3-14(21)18(15)22/h2-9,13,17H,10H2,1H3,(H,23,26)(H,24,27)/t13-,17-/m1/s1.
What are the key properties of (3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide?
(3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134412150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).