1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide

C14H13F3N2O — CID 55520483

IUPAC1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccn2C)cc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O/c1-9-5-6-10(8-11(9)14(15,16)17)18-13(20)12-4-3-7-19(12)2/h3-8H,1-2H3,(H,18,20)
InChIKeyDFYGDCOYJMAOPK-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.60
Rot. Bonds2

About 1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide

1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide (PubChem CID 55520483) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
PubChem CID55520483
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccn2C)cc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O/c1-9-5-6-10(8-11(9)14(15,16)17)18-13(20)12-4-3-7-19(12)2/h3-8H,1-2H3,(H,18,20)
InChIKeyDFYGDCOYJMAOPK-UHFFFAOYSA-N
XLogP3.60
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 162733829
N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 65431810
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide
CID 4791148
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 115575822
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
2,3,4,5-tetrabromo-6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 88887337
1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide
CID 139398325
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43599964
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide (CID 55520483) is 1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide is Cc1ccc(NC(=O)c2cccn2C)cc1C(F)(F)F.
What is the InChIKey of 1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is DFYGDCOYJMAOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-9-5-6-10(8-11(9)14(15,16)17)18-13(20)12-4-3-7-19(12)2/h3-8H,1-2H3,(H,18,20).
What are the key properties of 1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 282.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 55520483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).