N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide

C20H17BrN2O2 — CID 22515509

IUPACN-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide
SMILESCc1cc(C(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H17BrN2O2/c1-13-12-18(14(2)23(13)17-6-4-3-5-7-17)19(24)20(25)22-16-10-8-15(21)9-11-16/h3-12H,1-2H3,(H,22,25)
InChIKeyHAIVKUPGLPCWEA-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.68
Rot. Bonds4

About N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide

N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide (PubChem CID 22515509) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide
PubChem CID22515509
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC NameN-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide
SMILESCc1cc(C(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H17BrN2O2/c1-13-12-18(14(2)23(13)17-6-4-3-5-7-17)19(24)20(25)22-16-10-8-15(21)9-11-16/h3-12H,1-2H3,(H,22,25)
InChIKeyHAIVKUPGLPCWEA-UHFFFAOYSA-N
XLogP4.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide
CID 22515358
N-(2-anilino-2-oxoethyl)-1-(4-bromophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 55639307
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 31859819
N-(4-bromophenyl)-2-oxo-2-phenylacetamide
CID 15620422
N-(3-chloro-4-methoxyphenyl)-2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoacetamide
CID 22515506
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 60553560
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 7929263
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 2402381
3-[3-[(E)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
CID 1270925
N-(4-bromophenyl)-N'-[(Z)-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
CID 94836948

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide (CID 22515509) is N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide is Cc1cc(C(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide?
The InChIKey is HAIVKUPGLPCWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c1-13-12-18(14(2)23(13)17-6-4-3-5-7-17)19(24)20(25)22-16-10-8-15(21)9-11-16/h3-12H,1-2H3,(H,22,25).
What are the key properties of N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide?
N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide has a molecular weight of 397.27 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 22515509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).