(3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H18BrClN2O2 — CID 124528964

IUPAC(3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1
InChIInChI=1S/C19H18BrClN2O2/c1-2-12-3-6-15(7-4-12)23-11-13(9-18(23)24)19(25)22-14-5-8-16(20)17(21)10-14/h3-8,10,13H,2,9,11H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyTWSXSIYMGGKTEU-CYBMUJFWSA-N
MW421.72 g/mol
LogP4.66
Rot. Bonds4

About (3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 124528964) has the molecular formula C19H18BrClN2O2 and a molecular weight of 421.72 g/mol. Its IUPAC name is (3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID124528964
Molecular FormulaC19H18BrClN2O2
Molecular Weight421.72 g/mol
Exact Mass420.02
IUPAC Name(3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1
InChIInChI=1S/C19H18BrClN2O2/c1-2-12-3-6-15(7-4-12)23-11-13(9-18(23)24)19(25)22-14-5-8-16(20)17(21)10-14/h3-8,10,13H,2,9,11H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyTWSXSIYMGGKTEU-CYBMUJFWSA-N
XLogP4.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.72
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dichlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081984
N-(3-bromophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4667771
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42932599
(3R)-N-(4-chloro-3-nitrophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388767
1-(4-ethylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155517
(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 23905377
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2889867
1-(3-bromophenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190290

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 124528964) is (3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1.
What is the InChIKey of (3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is TWSXSIYMGGKTEU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18BrClN2O2/c1-2-12-3-6-15(7-4-12)23-11-13(9-18(23)24)19(25)22-14-5-8-16(20)17(21)10-14/h3-8,10,13H,2,9,11H2,1H3,(H,22,25)/t13-/m1/s1.
What are the key properties of (3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 421.72 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124528964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).