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

C14H14Br2N2O — CID 43640158

IUPAC4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H14Br2N2O/c1-9(2)18-8-11(16)7-13(18)14(19)17-12-5-3-10(15)4-6-12/h3-9H,1-2H3,(H,17,19)
InChIKeyPEKOMDCFGXCNRC-UHFFFAOYSA-N
MW386.09 g/mol
LogP4.85
Rot. Bonds3

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

4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43640158) has the molecular formula C14H14Br2N2O and a molecular weight of 386.09 g/mol. Its IUPAC name is 4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43640158
Molecular FormulaC14H14Br2N2O
Molecular Weight386.09 g/mol
Exact Mass383.95
IUPAC Name4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H14Br2N2O/c1-9(2)18-8-11(16)7-13(18)14(19)17-12-5-3-10(15)4-6-12/h3-9H,1-2H3,(H,17,19)
InChIKeyPEKOMDCFGXCNRC-UHFFFAOYSA-N
XLogP4.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.09
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60954488
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-[1-(4-bromophenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 63529150
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-(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 4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 43640158) is 4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is PEKOMDCFGXCNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O/c1-9(2)18-8-11(16)7-13(18)14(19)17-12-5-3-10(15)4-6-12/h3-9H,1-2H3,(H,17,19).
What are the key properties of 4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 386.09 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43640158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).