4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide

C12H19BrN2O — CID 61470818

IUPAC4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide
SMILESCCC(NC(=O)c1cc(Br)cn1C)C(C)C
InChIInChI=1S/C12H19BrN2O/c1-5-10(8(2)3)14-12(16)11-6-9(13)7-15(11)4/h6-8,10H,5H2,1-4H3,(H,14,16)
InChIKeyMFGQGMNBZAFWBM-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.95
Rot. Bonds4

About 4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide

4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide (PubChem CID 61470818) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide
PubChem CID61470818
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide
SMILESCCC(NC(=O)c1cc(Br)cn1C)C(C)C
InChIInChI=1S/C12H19BrN2O/c1-5-10(8(2)3)14-12(16)11-6-9(13)7-15(11)4/h6-8,10H,5H2,1-4H3,(H,14,16)
InChIKeyMFGQGMNBZAFWBM-UHFFFAOYSA-N
XLogP2.95
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 79250303
4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 115622756
methyl 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylpentanoate
CID 60701457
4-bromo-1-methyl-N-(4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 43641586
(2R)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063046
(2S)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063050
4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide
CID 42938791
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 115666649
4-bromo-N-hex-5-yn-3-yl-1-methylpyrrole-2-carboxamide
CID 115647133
4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063480
4-bromo-N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 60698404

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide (CID 61470818) is 4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide is CCC(NC(=O)c1cc(Br)cn1C)C(C)C.
What is the InChIKey of 4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide?
The InChIKey is MFGQGMNBZAFWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-5-10(8(2)3)14-12(16)11-6-9(13)7-15(11)4/h6-8,10H,5H2,1-4H3,(H,14,16).
What are the key properties of 4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide has a molecular weight of 287.20 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(2-methylpentan-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 61470818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).