4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide

C8H11BrN2O — CID 43640635

IUPAC4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC
InChIInChI=1S/C8H11BrN2O/c1-3-11-5-6(9)4-7(11)8(12)10-2/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyIAXDFGBMSHIJLU-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.63
Rot. Bonds2

About 4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide

4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide (PubChem CID 43640635) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
PubChem CID43640635
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC
InChIInChI=1S/C8H11BrN2O/c1-3-11-5-6(9)4-7(11)8(12)10-2/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyIAXDFGBMSHIJLU-UHFFFAOYSA-N
XLogP1.63
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-ethyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641426
4-bromo-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83031512
4-bromo-1-ethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrrole-2-carboxamide
CID 79350450
4-bromo-N-(2,2-dimethylbutyl)-1-ethylpyrrole-2-carboxamide
CID 103461921
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide
CID 120508288
4-bromo-1-(1,3-dioxolan-2-ylmethyl)-N-methylpyrrole-2-carboxamide
CID 125498607
4-bromo-1-ethyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide
CID 115604490
3-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 55105211
3-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261690
(2S)-3-(4-bromo-1-ethylpyrrol-2-yl)-2-cyano-N-methyl-3-oxopropanamide
CID 98130561
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 43639540

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide (CID 43640635) is 4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NC.
What is the InChIKey of 4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide?
The InChIKey is IAXDFGBMSHIJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-3-11-5-6(9)4-7(11)8(12)10-2/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of 4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide?
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide has a molecular weight of 231.09 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43640635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).