4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide

C15H16Br2N2O — CID 63529149

IUPAC4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C15H16Br2N2O/c1-3-19-9-13(17)8-14(19)15(20)18-10(2)11-4-6-12(16)7-5-11/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyHSPYGKATOICZFG-UHFFFAOYSA-N
MW400.11 g/mol
LogP4.52
Rot. Bonds4

About 4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide

4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide (PubChem CID 63529149) has the molecular formula C15H16Br2N2O and a molecular weight of 400.11 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
PubChem CID63529149
Molecular FormulaC15H16Br2N2O
Molecular Weight400.11 g/mol
Exact Mass397.96
IUPAC Name4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C15H16Br2N2O/c1-3-19-9-13(17)8-14(19)15(20)18-10(2)11-4-6-12(16)7-5-11/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyHSPYGKATOICZFG-UHFFFAOYSA-N
XLogP4.52
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-(3-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
CID 63529315
4-bromo-N-[1-(4-bromophenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 63529150
4-bromo-N-[(1S)-1-phenylethyl]-1-propylpyrrole-2-carboxamide
CID 107864120
4-bromo-1-ethyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641426
N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide
CID 120508288
4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide
CID 62199870
4-bromo-N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 60698404
4-bromo-1-ethyl-N-(4,4,4-trifluorobutan-2-yl)pyrrole-2-carboxamide
CID 104854910
4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 61247043
4-bromo-1-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrole-2-carboxamide
CID 60698414
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-amino-1-ethyl-N-[1-(4-methoxyphenyl)ethyl]pyrrole-2-carboxamide
CID 66197374

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide (CID 63529149) is 4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NC(C)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide?
The InChIKey is HSPYGKATOICZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O/c1-3-19-9-13(17)8-14(19)15(20)18-10(2)11-4-6-12(16)7-5-11/h4-10H,3H2,1-2H3,(H,18,20).
What are the key properties of 4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide?
4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide has a molecular weight of 400.11 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 63529149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).