4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide

C16H18BrN3O — CID 60698285

IUPAC4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C16H18BrN3O/c1-19-11-12(17)10-15(19)16(21)18-13-6-2-3-7-14(13)20-8-4-5-9-20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,18,21)
InChIKeyYWFGKBOXXZIEBL-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.64
Rot. Bonds3

About 4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide

4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide (PubChem CID 60698285) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide
PubChem CID60698285
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C16H18BrN3O/c1-19-11-12(17)10-15(19)16(21)18-13-6-2-3-7-14(13)20-8-4-5-9-20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,18,21)
InChIKeyYWFGKBOXXZIEBL-UHFFFAOYSA-N
XLogP3.64
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrole-2-carboxamide
CID 60956274
4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide
CID 43410998
4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 43411021
4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411034
4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 3019649
1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 35358555
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 46435453
3,5-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557750
4-bromo-N-(4-bromo-2,5-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 103842486
5-acetyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 11255926

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide (CID 60698285) is 4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1ccccc1N1CCCC1.
What is the InChIKey of 4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide?
The InChIKey is YWFGKBOXXZIEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-19-11-12(17)10-15(19)16(21)18-13-6-2-3-7-14(13)20-8-4-5-9-20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,18,21).
What are the key properties of 4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 60698285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).