2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

C17H19F3N2O — CID 3348125

IUPAC2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1CC(C)C
InChIInChI=1S/C17H19F3N2O/c1-10(2)9-22-11(3)14(16(21)23)8-15(22)12-4-6-13(7-5-12)17(18,19)20/h4-8,10H,9H2,1-3H3,(H2,21,23)
InChIKeyNTYRUVZWQSCHEI-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.24
Rot. Bonds4

About 2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 3348125) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID3348125
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1CC(C)C
InChIInChI=1S/C17H19F3N2O/c1-10(2)9-22-11(3)14(16(21)23)8-15(22)12-4-6-13(7-5-12)17(18,19)20/h4-8,10H,9H2,1-3H3,(H2,21,23)
InChIKeyNTYRUVZWQSCHEI-UHFFFAOYSA-N
XLogP4.24
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3710804
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
CID 3799937
1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 68561015
5-(3,4-difluorophenyl)-2-methyl-1-prop-2-ynylpyrrole-3-carboxamide
CID 3853810
5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828486
1-[(4-methoxyphenyl)methyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxamide
CID 3863509
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528
1-butyl-5-ethyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3773578
1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3752316
5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide
CID 3744012
(2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide
CID 157198688
1-[2-(2-chlorophenyl)ethyl]-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3811307

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 3348125) is 2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1CC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is NTYRUVZWQSCHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-10(2)9-22-11(3)14(16(21)23)8-15(22)12-4-6-13(7-5-12)17(18,19)20/h4-8,10H,9H2,1-3H3,(H2,21,23).
What are the key properties of 2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 3348125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).