N-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

C20H16ClF3N2O — CID 59807608

IUPACN-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16ClF3N2O/c1-12-11-14(19(27)25-17-9-5-4-8-16(17)21)13(2)26(12)18-10-6-3-7-15(18)20(22,23)24/h3-11H,1-2H3,(H,25,27)
InChIKeyAFLUWTGQBGYWBG-UHFFFAOYSA-N
MW392.81 g/mol
LogP6.02
Rot. Bonds3

About N-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

N-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 59807608) has the molecular formula C20H16ClF3N2O and a molecular weight of 392.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID59807608
Molecular FormulaC20H16ClF3N2O
Molecular Weight392.81 g/mol
Exact Mass392.09
IUPAC NameN-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16ClF3N2O/c1-12-11-14(19(27)25-17-9-5-4-8-16(17)21)13(2)26(12)18-10-6-3-7-15(18)20(22,23)24/h3-11H,1-2H3,(H,25,27)
InChIKeyAFLUWTGQBGYWBG-UHFFFAOYSA-N
XLogP6.02
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.81
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

CID 11710766
CID 11710766
CID 59807625
CID 59807625
CID 59808080
CID 59808080
CID 1147071
CID 1147071
CID 2368804
CID 2368804
CID 2423054
CID 2423054
CID 2742284
CID 2742284
CID 2742296
CID 2742296
CID 134137479
CID 134137479
CID 134148570
CID 134148570
CID 155526212
CID 155526212
CID 89946606
CID 89946606

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 59807608) is N-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is AFLUWTGQBGYWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O/c1-12-11-14(19(27)25-17-9-5-4-8-16(17)21)13(2)26(12)18-10-6-3-7-15(18)20(22,23)24/h3-11H,1-2H3,(H,25,27).
What are the key properties of N-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
N-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 392.81 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 59807608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).