(3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

C21H23BrN2O3 — CID 124528874

IUPAC(3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c(Br)c1
InChIInChI=1S/C21H23BrN2O3/c1-13(2)27-17-7-5-16(6-8-17)24-12-15(11-20(24)25)21(26)23-19-9-4-14(3)10-18(19)22/h4-10,13,15H,11-12H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyOLZZMEAERIYXOW-OAHLLOKOSA-N
MW431.33 g/mol
LogP4.54
Rot. Bonds5

About (3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

(3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 124528874) has the molecular formula C21H23BrN2O3 and a molecular weight of 431.33 g/mol. Its IUPAC name is (3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID124528874
Molecular FormulaC21H23BrN2O3
Molecular Weight431.33 g/mol
Exact Mass430.09
IUPAC Name(3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c(Br)c1
InChIInChI=1S/C21H23BrN2O3/c1-13(2)27-17-7-5-16(6-8-17)24-12-15(11-20(24)25)21(26)23-19-9-4-14(3)10-18(19)22/h4-10,13,15H,11-12H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyOLZZMEAERIYXOW-OAHLLOKOSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-bromophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7323830
(3S)-N-(2-bromo-4-methylphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1305786
1-(4-bromo-3-methylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578133
N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188418
(3S)-1-[4-[2-(2-bromo-4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 40802513
1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113186155
(3S)-N-(3-fluoro-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124528877
N-(4-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 579116
N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4779713
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
(3R)-N-(2,6-diethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 7324231

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 124528874) is (3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c(Br)c1.
What is the InChIKey of (3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is OLZZMEAERIYXOW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23BrN2O3/c1-13(2)27-17-7-5-16(6-8-17)24-12-15(11-20(24)25)21(26)23-19-9-4-14(3)10-18(19)22/h4-10,13,15H,11-12H2,1-3H3,(H,23,26)/t15-/m1/s1.
What are the key properties of (3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
(3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 431.33 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-bromo-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 124528874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).