4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide

C20H24BrN3O2 — CID 3816605

IUPAC4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccc(Br)cc2)c(C)n1CCCN1CCCC1=O
InChIInChI=1S/C20H24BrN3O2/c1-13-18(15-6-8-16(21)9-7-15)19(20(22)26)14(2)24(13)12-4-11-23-10-3-5-17(23)25/h6-9H,3-5,10-12H2,1-2H3,(H2,22,26)
InChIKeyIQQWCHWCMCQMLW-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.65
Rot. Bonds6

About 4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide

4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide (PubChem CID 3816605) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
PubChem CID3816605
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC Name4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccc(Br)cc2)c(C)n1CCCN1CCCC1=O
InChIInChI=1S/C20H24BrN3O2/c1-13-18(15-6-8-16(21)9-7-15)19(20(22)26)14(2)24(13)12-4-11-23-10-3-5-17(23)25/h6-9H,3-5,10-12H2,1-2H3,(H2,22,26)
InChIKeyIQQWCHWCMCQMLW-UHFFFAOYSA-N
XLogP3.65
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3436273
2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 4992163
4-(2-methoxyphenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 4236636
4-(4-methoxyphenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
CID 3789443
4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
CID 5012624
2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propyl-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3564068
5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide
CID 4985747
4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3843034
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3860026
1-[3-[4-(4-bromophenyl)-2-(2,6-dimethylphenyl)imino-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
CID 23795975
5-(4-bromophenyl)-1-(3-methoxypropyl)-2,4-dimethylpyrrole-3-carboxamide
CID 5020639
5-(4-bromophenyl)-1-(3-ethoxypropyl)-2,4-dimethylpyrrole-3-carboxamide
CID 3849913

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide (CID 3816605) is 4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide is Cc1c(C(N)=O)c(-c2ccc(Br)cc2)c(C)n1CCCN1CCCC1=O.
What is the InChIKey of 4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
The InChIKey is IQQWCHWCMCQMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-13-18(15-6-8-16(21)9-7-15)19(20(22)26)14(2)24(13)12-4-11-23-10-3-5-17(23)25/h6-9H,3-5,10-12H2,1-2H3,(H2,22,26).
What are the key properties of 4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide has a molecular weight of 418.34 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide is sourced from PubChem (CID 3816605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).