4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide

C15H17BrN2O — CID 43410595

IUPAC4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C15H17BrN2O/c1-3-10-6-5-7-11(4-2)14(10)18-15(19)13-8-12(16)9-17-13/h5-9,17H,3-4H2,1-2H3,(H,18,19)
InChIKeyQHPCREFDQGBPQE-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.15
Rot. Bonds4

About 4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 43410595) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID43410595
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C15H17BrN2O/c1-3-10-6-5-7-11(4-2)14(10)18-15(19)13-8-12(16)9-17-13/h5-9,17H,3-4H2,1-2H3,(H,18,19)
InChIKeyQHPCREFDQGBPQE-UHFFFAOYSA-N
XLogP4.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
CID 43642713
4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 17470625
4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601282
4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 64793249
2,5-dibromo-N-(2,6-diethylphenyl)benzamide
CID 114369798
N-(2,6-diethylphenyl)-1H-imidazole-5-carboxamide
CID 110684342
4-bromo-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846604
N-(2,6-diethylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600773
4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
CID 26692195
4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 60933897
1-N-(2,6-diethylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043170
4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 18109255

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide (CID 43410595) is 4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide is CCc1cccc(CC)c1NC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is QHPCREFDQGBPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-3-10-6-5-7-11(4-2)14(10)18-15(19)13-8-12(16)9-17-13/h5-9,17H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 321.22 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43410595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).