2,5-dimethyl-N-phenylpyrrole-2-carboxamide

C13H14N2O — CID 175090602

IUPAC2,5-dimethyl-N-phenylpyrrole-2-carboxamide
SMILESCC1=NC(C)(C(=O)Nc2ccccc2)C=C1
InChIInChI=1S/C13H14N2O/c1-10-8-9-13(2,15-10)12(16)14-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,14,16)
InChIKeyJXZMSSMMWQPBSL-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.41
Rot. Bonds2

About 2,5-dimethyl-N-phenylpyrrole-2-carboxamide

2,5-dimethyl-N-phenylpyrrole-2-carboxamide (PubChem CID 175090602) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2,5-dimethyl-N-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-phenylpyrrole-2-carboxamide
PubChem CID175090602
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2,5-dimethyl-N-phenylpyrrole-2-carboxamide
SMILESCC1=NC(C)(C(=O)Nc2ccccc2)C=C1
InChIInChI=1S/C13H14N2O/c1-10-8-9-13(2,15-10)12(16)14-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,14,16)
InChIKeyJXZMSSMMWQPBSL-UHFFFAOYSA-N
XLogP2.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 2,2-dimethyl-1-(phenylcarbamoyl)cyclopropane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-phenylpyrrole-2-carboxamide?
The IUPAC name of 2,5-dimethyl-N-phenylpyrrole-2-carboxamide (CID 175090602) is 2,5-dimethyl-N-phenylpyrrole-2-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-phenylpyrrole-2-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-phenylpyrrole-2-carboxamide is CC1=NC(C)(C(=O)Nc2ccccc2)C=C1.
What is the InChIKey of 2,5-dimethyl-N-phenylpyrrole-2-carboxamide?
The InChIKey is JXZMSSMMWQPBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-8-9-13(2,15-10)12(16)14-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,14,16).
What are the key properties of 2,5-dimethyl-N-phenylpyrrole-2-carboxamide?
2,5-dimethyl-N-phenylpyrrole-2-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 175090602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).