4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide

C12H19BrN2O — CID 115622756

IUPAC4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)cn1C)C(C)(C)C
InChIInChI=1S/C12H19BrN2O/c1-8(12(2,3)4)14-11(16)10-6-9(13)7-15(10)5/h6-8H,1-5H3,(H,14,16)
InChIKeyFFNZALFJPFWEEV-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.95
Rot. Bonds2

About 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 115622756) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
PubChem CID115622756
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)cn1C)C(C)(C)C
InChIInChI=1S/C12H19BrN2O/c1-8(12(2,3)4)14-11(16)10-6-9(13)7-15(10)5/h6-8H,1-5H3,(H,14,16)
InChIKeyFFNZALFJPFWEEV-UHFFFAOYSA-N
XLogP2.95
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-4-bromo-1-methylpyrrole-2-carboxamide
CID 136580526
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 79250303
(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-methylpentan-3-yl)pyrrole-2-carboxamide
CID 61470818
4-bromo-1-methyl-N-(4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 43641586
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 43208807
N-(4-amino-4-oxobutan-2-yl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 115666649
4-bromo-1-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrole-2-carboxamide
CID 60698414
4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 60698295
4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65111825
methyl 2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-3-methylpentanoate
CID 60701457

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide (CID 115622756) is 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide is CC(NC(=O)c1cc(Br)cn1C)C(C)(C)C.
What is the InChIKey of 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is FFNZALFJPFWEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-8(12(2,3)4)14-11(16)10-6-9(13)7-15(10)5/h6-8H,1-5H3,(H,14,16).
What are the key properties of 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 287.20 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 115622756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).