4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide

C12H19BrN2O — CID 43432093

IUPAC4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
SMILESCCN(CC(C)C)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C12H19BrN2O/c1-5-15(7-9(2)3)12(16)11-6-10(13)8-14(11)4/h6,8-9H,5,7H2,1-4H3
InChIKeyGPMOZDDUFYJTMZ-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.91
Rot. Bonds4

About 4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide

4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide (PubChem CID 43432093) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
PubChem CID43432093
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
SMILESCCN(CC(C)C)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C12H19BrN2O/c1-5-15(7-9(2)3)12(16)11-6-10(13)8-14(11)4/h6,8-9H,5,7H2,1-4H3
InChIKeyGPMOZDDUFYJTMZ-UHFFFAOYSA-N
XLogP2.91
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-cyanopropyl)-N-ethyl-1-methylpyrrole-2-carboxamide
CID 54878056
4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641536
3-[(4-bromo-1-methylpyrrole-2-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119189960
4-bromo-N-ethyl-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 43641486
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60698343
4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61105477
4-bromo-N-hexyl-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 54878088
4-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61110497
4-bromo-N-(2-hydroxyethyl)-N,1-dimethylpyrrole-2-carboxamide
CID 60702158
4-amino-N-(2-cyanoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61113965
4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide
CID 60955282

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide (CID 43432093) is 4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide is CCN(CC(C)C)C(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide?
The InChIKey is GPMOZDDUFYJTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-5-15(7-9(2)3)12(16)11-6-10(13)8-14(11)4/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide?
4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide has a molecular weight of 287.20 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43432093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).