(3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C18H24FN3O3 — CID 95119937

IUPAC(3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c(F)c1
InChIInChI=1S/C18H24FN3O3/c1-11(2)9-22-10-13(7-17(22)24)18(25)20-8-16(23)21-15-5-4-12(3)6-14(15)19/h4-6,11,13H,7-10H2,1-3H3,(H,20,25)(H,21,23)/t13-/m1/s1
InChIKeyBSQMDOVPLPXUOW-CYBMUJFWSA-N
MW349.41 g/mol
LogP1.69
Rot. Bonds6

About (3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 95119937) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is (3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID95119937
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name(3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c(F)c1
InChIInChI=1S/C18H24FN3O3/c1-11(2)9-22-10-13(7-17(22)24)18(25)20-8-16(23)21-15-5-4-12(3)6-14(15)19/h4-6,11,13H,7-10H2,1-3H3,(H,20,25)(H,21,23)/t13-/m1/s1
InChIKeyBSQMDOVPLPXUOW-CYBMUJFWSA-N
XLogP1.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182073
(3S)-N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95254623
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
(3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7774556
N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597202
1-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 111429196
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 37004002
N-(2-fluoro-4-methylphenyl)-2-(1-piperidin-1-ylpropan-2-ylamino)acetamide
CID 56712249
N-(2-fluoro-4-methylphenyl)-2-[[(2R)-1-piperidin-1-ylpropan-2-yl]amino]acetamide
CID 95200536
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 95119937) is (3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c(F)c1.
What is the InChIKey of (3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BSQMDOVPLPXUOW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-11(2)9-22-10-13(7-17(22)24)18(25)20-8-16(23)21-15-5-4-12(3)6-14(15)19/h4-6,11,13H,7-10H2,1-3H3,(H,20,25)(H,21,23)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95119937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).