4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

C22H21F3N2O3 — CID 175986722

IUPAC4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCCNC(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H21F3N2O3/c1-4-26-21(28)16-12-27-20(13-5-8-15(9-6-13)22(23,24)25)19(16)14-7-10-17(29-2)18(11-14)30-3/h5-12,27H,4H2,1-3H3,(H,26,28)
InChIKeyQZOMITXUUGNMTO-UHFFFAOYSA-N
MW418.42 g/mol
LogP5.13
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 175986722) has the molecular formula C22H21F3N2O3 and a molecular weight of 418.42 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID175986722
Molecular FormulaC22H21F3N2O3
Molecular Weight418.42 g/mol
Exact Mass418.15
IUPAC Name4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCCNC(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H21F3N2O3/c1-4-26-21(28)16-12-27-20(13-5-8-15(9-6-13)22(23,24)25)19(16)14-7-10-17(29-2)18(11-14)30-3/h5-12,27H,4H2,1-3H3,(H,26,28)
InChIKeyQZOMITXUUGNMTO-UHFFFAOYSA-N
XLogP5.13
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 175986752
ethyl 4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate
CID 175986809
4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 175986707
ethyl 4-(3-methylsulfinylphenyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate
CID 175986756
2-(3,4-dimethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052353
2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 167264759
[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] 2-[4-[3-methoxy-4-[2-[4-(trifluoromethyl)phenyl]benzoyl]-1H-pyrrol-2-yl]phenyl]acetate
CID 91400619
2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 46066060
2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride
CID 86032170
N-butyl-6-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364827
1-[[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 42790368
ethyl 5-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate
CID 175986779

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (CID 175986722) is 4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is CCNC(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is QZOMITXUUGNMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O3/c1-4-26-21(28)16-12-27-20(13-5-8-15(9-6-13)22(23,24)25)19(16)14-7-10-17(29-2)18(11-14)30-3/h5-12,27H,4H2,1-3H3,(H,26,28).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 175986722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).