4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

C17H20N2O2 — CID 866992

IUPAC4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C)c2C)c1C
InChIInChI=1S/C17H20N2O2/c1-9-7-6-8-14(10(9)2)19-17(21)16-11(3)15(13(5)20)12(4)18-16/h6-8,18H,1-5H3,(H,19,21)
InChIKeyYKCDPFIQLZCOIP-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.70
Rot. Bonds3

About 4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 866992) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID866992
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C)c2C)c1C
InChIInChI=1S/C17H20N2O2/c1-9-7-6-8-14(10(9)2)19-17(21)16-11(3)15(13(5)20)12(4)18-16/h6-8,18H,1-5H3,(H,19,21)
InChIKeyYKCDPFIQLZCOIP-UHFFFAOYSA-N
XLogP3.70
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
CID 211019
1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 7117510
4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide
CID 156612861
4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 775964
4-acetyl-3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 866986
4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866991
4-acetyl-N-(4-ethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866993
4-acetyl-3,5-dimethyl-N-(3-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 2082448
4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2125831
4-acetyl-N-(2-bromo-4-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2446441
4-acetyl-N-(4-butan-2-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 4334620
4-acetyl-3,5-dimethyl-N'-(4-methylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 4788129

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 866992) is 4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C)c2C)c1C.
What is the InChIKey of 4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is YKCDPFIQLZCOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-9-7-6-8-14(10(9)2)19-17(21)16-11(3)15(13(5)20)12(4)18-16/h6-8,18H,1-5H3,(H,19,21).
What are the key properties of 4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 866992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).