4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide

C17H21BrN2O — CID 63525463

IUPAC4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide
SMILESCCCc1ccccc1NC(=O)c1cc(Br)cn1CCC
InChIInChI=1S/C17H21BrN2O/c1-3-7-13-8-5-6-9-15(13)19-17(21)16-11-14(18)12-20(16)10-4-2/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,21)
InChIKeyRDJSGVVQVBVZBE-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.87
Rot. Bonds6

About 4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide

4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide (PubChem CID 63525463) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide
PubChem CID63525463
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide
SMILESCCCc1ccccc1NC(=O)c1cc(Br)cn1CCC
InChIInChI=1S/C17H21BrN2O/c1-3-7-13-8-5-6-9-15(13)19-17(21)16-11-14(18)12-20(16)10-4-2/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,21)
InChIKeyRDJSGVVQVBVZBE-UHFFFAOYSA-N
XLogP4.87
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 60955987
4-bromo-N-(2-propan-2-ylphenyl)-1-propylpyrrole-2-carboxamide
CID 43640837
4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride
CID 119438837
4-bromo-N-[(2-ethylphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 64694880
4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954936
4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43641431
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 81288414
4-bromo-N-[(1S)-1-phenylethyl]-1-propylpyrrole-2-carboxamide
CID 107864120
4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 43641337
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190
1-methyl-2-oxo-N-(2-propylphenyl)pyridine-4-carboxamide
CID 31870618

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide (CID 63525463) is 4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide is CCCc1ccccc1NC(=O)c1cc(Br)cn1CCC.
What is the InChIKey of 4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide?
The InChIKey is RDJSGVVQVBVZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-3-7-13-8-5-6-9-15(13)19-17(21)16-11-14(18)12-20(16)10-4-2/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,21).
What are the key properties of 4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide?
4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide has a molecular weight of 349.27 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propyl-N-(2-propylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 63525463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).