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

C15H16N2O2 — CID 8867620

IUPAC4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C15H16N2O2/c1-9-4-5-10(2)13(6-9)17-15(19)14-7-12(8-16-14)11(3)18/h4-8,16H,1-3H3,(H,17,19)
InChIKeyZTDFRGAAMBIWEA-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.09
Rot. Bonds3

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

4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 8867620) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID8867620
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C15H16N2O2/c1-9-4-5-10(2)13(6-9)17-15(19)14-7-12(8-16-14)11(3)18/h4-8,16H,1-3H3,(H,17,19)
InChIKeyZTDFRGAAMBIWEA-UHFFFAOYSA-N
XLogP3.09
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 31458266
4-acetyl-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9084845
N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide
CID 110691132
4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9088365
N-(2,5-dimethylphenyl)-4-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 71852752
4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18107275
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110857337
4-acetyl-N-[3-(3-methylphenoxy)propyl]-1H-pyrrole-2-carboxamide
CID 42575949
4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide
CID 71929517
N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683959
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide (CID 8867620) is 4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of 4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZTDFRGAAMBIWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-4-5-10(2)13(6-9)17-15(19)14-7-12(8-16-14)11(3)18/h4-8,16H,1-3H3,(H,17,19).
What are the key properties of 4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 8867620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).