4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide

C17H21BrN2O — CID 43640837

IUPAC4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H21BrN2O/c1-4-9-20-11-13(18)10-16(20)17(21)19-15-8-6-5-7-14(15)12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,19,21)
InChIKeyLLVWUAHEEYLCTR-UHFFFAOYSA-N
MW349.27 g/mol
LogP5.04
Rot. Bonds5

About 4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43640837) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide
PubChem CID43640837
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H21BrN2O/c1-4-9-20-11-13(18)10-16(20)17(21)19-15-8-6-5-7-14(15)12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,19,21)
InChIKeyLLVWUAHEEYLCTR-UHFFFAOYSA-N
XLogP5.04
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.27
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1S)-1-phenylethyl]-1-propylpyrrole-2-carboxamide
CID 107864120
4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43641431
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
4-bromo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 61480650
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190
3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 104851756
4-bromo-N-[1-(methylamino)-1-oxopropan-2-yl]-1-propylpyrrole-2-carboxamide
CID 54950997
4-amino-N-(2-methylsulfanylphenyl)-1-propylpyrrole-2-carboxamide
CID 61116942
4-bromo-N-(4-methylpent-1-yn-3-yl)-1-propylpyrrole-2-carboxamide
CID 114202530
4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride
CID 119438837
4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954936

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide (CID 43640837) is 4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is LLVWUAHEEYLCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-4-9-20-11-13(18)10-16(20)17(21)19-15-8-6-5-7-14(15)12(2)3/h5-8,10-12H,4,9H2,1-3H3,(H,19,21).
What are the key properties of 4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 349.27 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43640837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).