1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide

C15H18N2O — CID 9182741

IUPAC1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C15H18N2O/c1-10-7-5-6-8-14(10)16-15(18)13-9-11(2)17(4)12(13)3/h5-9H,1-4H3,(H,16,18)
InChIKeyZHEPAZUJYTZSTD-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.20
Rot. Bonds2

About 1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide

1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide (PubChem CID 9182741) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide
PubChem CID9182741
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C15H18N2O/c1-10-7-5-6-8-14(10)16-15(18)13-9-11(2)17(4)12(13)3/h5-9H,1-4H3,(H,16,18)
InChIKeyZHEPAZUJYTZSTD-UHFFFAOYSA-N
XLogP3.20
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 125145143
1,2,5-trimethyl-N-(2-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 125145147
1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
CID 110691327
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691306
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
CID 777419
5-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1-phenylpyrrole-3-carboxamide
CID 2742338
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate
CID 4052008
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
N-[4-(2-methoxyphenoxy)phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 9182918
1-hydroxy-4-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 20719420

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide (CID 9182741) is 1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide is Cc1ccccc1NC(=O)c1cc(C)n(C)c1C.
What is the InChIKey of 1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is ZHEPAZUJYTZSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-7-5-6-8-14(10)16-15(18)13-9-11(2)17(4)12(13)3/h5-9H,1-4H3,(H,16,18).
What are the key properties of 1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide?
1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 9182741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).