1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone

C21H20ClNO — CID 71739648

IUPAC1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(Cl)cc2)c(C)n(-c2ccc(C)cc2)c1C
InChIInChI=1S/C21H20ClNO/c1-13-5-11-19(12-6-13)23-14(2)20(16(4)24)21(15(23)3)17-7-9-18(22)10-8-17/h5-12H,1-4H3
InChIKeySBHLINLLXACYDC-UHFFFAOYSA-N
MW337.85 g/mol
LogP5.93
Rot. Bonds3

About 1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone

1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone (PubChem CID 71739648) has the molecular formula C21H20ClNO and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone
PubChem CID71739648
Molecular FormulaC21H20ClNO
Molecular Weight337.85 g/mol
Exact Mass337.12
IUPAC Name1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(Cl)cc2)c(C)n(-c2ccc(C)cc2)c1C
InChIInChI=1S/C21H20ClNO/c1-13-5-11-19(12-6-13)23-14(2)20(16(4)24)21(15(23)3)17-7-9-18(22)10-8-17/h5-12H,1-4H3
InChIKeySBHLINLLXACYDC-UHFFFAOYSA-N
XLogP5.93
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.85
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-acetyl-2-(4-chlorophenyl)-5-methyl-1-(4-methylphenyl)pyrrol-3-yl]-4-hydroxypent-3-en-2-one
CID 138961600
1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone
CID 14920247
1-[1-(4-chlorophenyl)-4,6-dimethyl-2-sulfanylidene-3-pyridinyl]ethanone
CID 4195179
1-[3-acetyl-1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanone
CID 16766692
6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile
CID 10506173
1-[4-acetyl-1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 767201
1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone
CID 132600498
1-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)pyrrol-3-yl]propan-2-one
CID 138961557
1-[4-[3-benzoyl-2-(4-chlorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone
CID 90983981
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7212618
ethyl 4-(4-acetamidophenyl)-5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 24894342

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone (CID 71739648) is 1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone is CC(=O)c1c(-c2ccc(Cl)cc2)c(C)n(-c2ccc(C)cc2)c1C.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone?
The InChIKey is SBHLINLLXACYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO/c1-13-5-11-19(12-6-13)23-14(2)20(16(4)24)21(15(23)3)17-7-9-18(22)10-8-17/h5-12H,1-4H3.
What are the key properties of 1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone?
1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone has a molecular weight of 337.85 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone is sourced from PubChem (CID 71739648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).