1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H21BrClN3O3 — CID 46586344

IUPAC1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C21H21BrClN3O3/c22-16-3-1-2-4-18(16)26-13-14(11-20(26)27)21(28)24-17-12-15(23)5-6-19(17)25-7-9-29-10-8-25/h1-6,12,14H,7-11,13H2,(H,24,28)
InChIKeyBYIFUCZKLFHULF-UHFFFAOYSA-N
MW478.77 g/mol
LogP3.93
Rot. Bonds4

About 1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46586344) has the molecular formula C21H21BrClN3O3 and a molecular weight of 478.77 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46586344
Molecular FormulaC21H21BrClN3O3
Molecular Weight478.77 g/mol
Exact Mass477.05
IUPAC Name1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C21H21BrClN3O3/c22-16-3-1-2-4-18(16)26-13-14(11-20(26)27)21(28)24-17-12-15(23)5-6-19(17)25-7-9-29-10-8-25/h1-6,12,14H,7-11,13H2,(H,24,28)
InChIKeyBYIFUCZKLFHULF-UHFFFAOYSA-N
XLogP3.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42999905
(3R)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30929926
(3S)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 40975249
(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26268983
(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9461562
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
1-(2,6-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186273
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8005863
1-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55615249
(3S)-N-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30932440
(3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005107

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46586344) is 1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCOCC1)C1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BYIFUCZKLFHULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrClN3O3/c22-16-3-1-2-4-18(16)26-13-14(11-20(26)27)21(28)24-17-12-15(23)5-6-19(17)25-7-9-29-10-8-25/h1-6,12,14H,7-11,13H2,(H,24,28).
What are the key properties of 1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 478.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46586344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).