4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide

C13H21BrN2O — CID 62199870

IUPAC4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide
SMILESCCCCC(C)NC(=O)c1cc(Br)cn1CC
InChIInChI=1S/C13H21BrN2O/c1-4-6-7-10(3)15-13(17)12-8-11(14)9-16(12)5-2/h8-10H,4-7H2,1-3H3,(H,15,17)
InChIKeyDFKMIJSLKZQLBK-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.58
Rot. Bonds6

About 4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide

4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide (PubChem CID 62199870) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide
PubChem CID62199870
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide
SMILESCCCCC(C)NC(=O)c1cc(Br)cn1CC
InChIInChI=1S/C13H21BrN2O/c1-4-6-7-10(3)15-13(17)12-8-11(14)9-16(12)5-2/h8-10H,4-7H2,1-3H3,(H,15,17)
InChIKeyDFKMIJSLKZQLBK-UHFFFAOYSA-N
XLogP3.58
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide
CID 106025484
N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide
CID 120508288
4-bromo-1-ethyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641426
4-bromo-1-ethyl-N-(4,4,4-trifluorobutan-2-yl)pyrrole-2-carboxamide
CID 104854910
4-bromo-N-heptan-2-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 55222608
N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 65191144
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 43639540
4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 61247043
4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
CID 63529149
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]pentanedioic acid
CID 60832158
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83031512

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide (CID 62199870) is 4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide is CCCCC(C)NC(=O)c1cc(Br)cn1CC.
What is the InChIKey of 4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide?
The InChIKey is DFKMIJSLKZQLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-4-6-7-10(3)15-13(17)12-8-11(14)9-16(12)5-2/h8-10H,4-7H2,1-3H3,(H,15,17).
What are the key properties of 4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide?
4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide has a molecular weight of 301.23 g/mol, XLogP of 3.58, 6 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-hexan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 62199870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).