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

C15H25BrN2O — CID 106025484

IUPAC4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide
SMILESCCCCC(CCC)NC(=O)c1cc(Br)cn1CC
InChIInChI=1S/C15H25BrN2O/c1-4-7-9-13(8-5-2)17-15(19)14-10-12(16)11-18(14)6-3/h10-11,13H,4-9H2,1-3H3,(H,17,19)
InChIKeyFKBIBTDSMLRNCI-UHFFFAOYSA-N
MW329.28 g/mol
LogP4.36
Rot. Bonds8

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

4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide (PubChem CID 106025484) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide
PubChem CID106025484
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide
SMILESCCCCC(CCC)NC(=O)c1cc(Br)cn1CC
InChIInChI=1S/C15H25BrN2O/c1-4-7-9-13(8-5-2)17-15(19)14-10-12(16)11-18(14)6-3/h10-11,13H,4-9H2,1-3H3,(H,17,19)
InChIKeyFKBIBTDSMLRNCI-UHFFFAOYSA-N
XLogP4.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 65191144
4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide
CID 62199870
4-bromo-1-ethyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641426
4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 61247043
N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide
CID 120508288
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]pentanedioic acid
CID 60832158
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 43639540
4-bromo-N-(1-hydroxypentan-3-yl)-1-propylpyrrole-2-carboxamide
CID 113495836
4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
CID 63529149
4-bromo-1-ethyl-N-(4,4,4-trifluorobutan-2-yl)pyrrole-2-carboxamide
CID 104854910
N-(1-aminohexan-2-yl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 80696485

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide (CID 106025484) is 4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide is CCCCC(CCC)NC(=O)c1cc(Br)cn1CC.
What is the InChIKey of 4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide?
The InChIKey is FKBIBTDSMLRNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-4-7-9-13(8-5-2)17-15(19)14-10-12(16)11-18(14)6-3/h10-11,13H,4-9H2,1-3H3,(H,17,19).
What are the key properties of 4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide?
4-bromo-1-ethyl-N-octan-4-ylpyrrole-2-carboxamide has a molecular weight of 329.28 g/mol, XLogP of 4.36, 8 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-octan-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 106025484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).