1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone

C23H18ClNO — CID 132600498

IUPAC1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C23H18ClNO/c1-15-22(16(2)26)14-23(25(15)21-11-9-20(24)10-12-21)19-8-7-17-5-3-4-6-18(17)13-19/h3-14H,1-2H3
InChIKeyOXWMNZNZUQTASS-UHFFFAOYSA-N
MW359.86 g/mol
LogP6.46
Rot. Bonds3

About 1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone

1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone (PubChem CID 132600498) has the molecular formula C23H18ClNO and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone
PubChem CID132600498
Molecular FormulaC23H18ClNO
Molecular Weight359.86 g/mol
Exact Mass359.11
IUPAC Name1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C23H18ClNO/c1-15-22(16(2)26)14-23(25(15)21-11-9-20(24)10-12-21)19-8-7-17-5-3-4-6-18(17)13-19/h3-14H,1-2H3
InChIKeyOXWMNZNZUQTASS-UHFFFAOYSA-N
XLogP6.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

1-[2-methyl-1-(4-methylphenyl)-5-naphthalen-2-ylpyrrol-3-yl]ethanone
CID 132600501
1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone
CID 132600497
3-[4-acetyl-1-(4-chlorophenyl)-5-methylpyrrol-2-yl]chromen-2-one
CID 102442482
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
1-[1-(4-bromophenyl)-5-(3,4-dimethylphenyl)-2-methylpyrrol-3-yl]ethanone
CID 134195045
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone;sulfane
CID 174584784
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide
CID 2742338
[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42665897
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7213183
5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 24894219

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone (CID 132600498) is 1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone is CC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone?
The InChIKey is OXWMNZNZUQTASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO/c1-15-22(16(2)26)14-23(25(15)21-11-9-20(24)10-12-21)19-8-7-17-5-3-4-6-18(17)13-19/h3-14H,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone?
1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone has a molecular weight of 359.86 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone is sourced from PubChem (CID 132600498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).