N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide

C16H17BrN2O2 — CID 60954488

IUPACN-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Br)cn2C(C)C)cc1
InChIInChI=1S/C16H17BrN2O2/c1-10(2)19-9-13(17)8-15(19)16(21)18-14-6-4-12(5-7-14)11(3)20/h4-10H,1-3H3,(H,18,21)
InChIKeyCXTIZBPXRJRZNM-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.29
Rot. Bonds4

About N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide

N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 60954488) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID60954488
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Br)cn2C(C)C)cc1
InChIInChI=1S/C16H17BrN2O2/c1-10(2)19-9-13(17)8-15(19)16(21)18-14-6-4-12(5-7-14)11(3)20/h4-10H,1-3H3,(H,18,21)
InChIKeyCXTIZBPXRJRZNM-UHFFFAOYSA-N
XLogP4.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640867
4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide
CID 78895551
4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79035675
4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114839980
4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78895679
4-bromo-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60808516
4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115666662
4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641275
4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54877845
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 80710284
2-[3-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]phenoxy]acetic acid
CID 119224858

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide (CID 60954488) is N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(Br)cn2C(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is CXTIZBPXRJRZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10(2)19-9-13(17)8-15(19)16(21)18-14-6-4-12(5-7-14)11(3)20/h4-10H,1-3H3,(H,18,21).
What are the key properties of N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 60954488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).