4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide

C12H19BrN2O2 — CID 66106842

IUPAC4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCC(C)CCO
InChIInChI=1S/C12H19BrN2O2/c1-3-15-8-10(13)6-11(15)12(17)14-7-9(2)4-5-16/h6,8-9,16H,3-5,7H2,1-2H3,(H,14,17)
InChIKeyKOBCQQLPEXUCTN-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.02
Rot. Bonds6

About 4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide

4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide (PubChem CID 66106842) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
PubChem CID66106842
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCC(C)CCO
InChIInChI=1S/C12H19BrN2O2/c1-3-15-8-10(13)6-11(15)12(17)14-7-9(2)4-5-16/h6,8-9,16H,3-5,7H2,1-2H3,(H,14,17)
InChIKeyKOBCQQLPEXUCTN-UHFFFAOYSA-N
XLogP2.02
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83031512
3-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 55105211
4-bromo-1-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrrole-2-carboxamide
CID 120654243
4-bromo-N-[2-(dimethylamino)-3-methylbutyl]-1-ethylpyrrole-2-carboxamide
CID 61249801
4-bromo-1-ethyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide
CID 115604490
4-bromo-N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66175814
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-1-ethyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641426
4-bromo-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-2-carboxamide
CID 103636124
4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide
CID 62199870
N-(2-amino-2-phenylethyl)-4-bromo-1-ethylpyrrole-2-carboxamide;hydrochloride
CID 119527518
4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1-ethylpyrrole-2-carboxamide
CID 66170742

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide (CID 66106842) is 4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NCC(C)CCO.
What is the InChIKey of 4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide?
The InChIKey is KOBCQQLPEXUCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-3-15-8-10(13)6-11(15)12(17)14-7-9(2)4-5-16/h6,8-9,16H,3-5,7H2,1-2H3,(H,14,17).
What are the key properties of 4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide has a molecular weight of 303.20 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(4-hydroxy-2-methylbutyl)pyrrole-2-carboxamide is sourced from PubChem (CID 66106842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).