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

C18H11F5N2O — CID 172754814

IUPACN-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccn(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H11F5N2O/c19-12-5-6-15(14(20)9-12)24-17(26)11-7-8-25(10-11)16-4-2-1-3-13(16)18(21,22)23/h1-10H,(H,24,26)
InChIKeyKWJGVBYNOYBIMT-UHFFFAOYSA-N
MW366.29 g/mol
LogP5.03
Rot. Bonds3

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

N-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 172754814) has the molecular formula C18H11F5N2O and a molecular weight of 366.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID172754814
Molecular FormulaC18H11F5N2O
Molecular Weight366.29 g/mol
Exact Mass366.08
IUPAC NameN-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccn(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H11F5N2O/c19-12-5-6-15(14(20)9-12)24-17(26)11-7-8-25(10-11)16-4-2-1-3-13(16)18(21,22)23/h1-10H,(H,24,26)
InChIKeyKWJGVBYNOYBIMT-UHFFFAOYSA-N
XLogP5.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-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-(2,4-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 2524391
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270001
2,4-difluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8896585
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
N-(2,4-difluorophenyl)-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200283
N-(2,5-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 7958863
N-(2,4-difluorophenyl)-3,5-dihydroxybenzamide
CID 103891425
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256
N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 90271499
1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843822
N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 172754814) is N-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccn(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is KWJGVBYNOYBIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N2O/c19-12-5-6-15(14(20)9-12)24-17(26)11-7-8-25(10-11)16-4-2-1-3-13(16)18(21,22)23/h1-10H,(H,24,26).
What are the key properties of N-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
N-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 366.29 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 172754814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).