N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

C22H22F3N3O — CID 170695675

IUPACN-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2C(F)(F)F)[nH]c1-c1ccccc1
InChIInChI=1S/C22H22F3N3O/c1-28(2)13-12-26-21(29)17-14-19(27-20(17)15-8-4-3-5-9-15)16-10-6-7-11-18(16)22(23,24)25/h3-11,14,27H,12-13H2,1-2H3,(H,26,29)
InChIKeyWGFGNHSWNCCGNZ-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.66
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 170695675) has the molecular formula C22H22F3N3O and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID170695675
Molecular FormulaC22H22F3N3O
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2C(F)(F)F)[nH]c1-c1ccccc1
InChIInChI=1S/C22H22F3N3O/c1-28(2)13-12-26-21(29)17-14-19(27-20(17)15-8-4-3-5-9-15)16-10-6-7-11-18(16)22(23,24)25/h3-11,14,27H,12-13H2,1-2H3,(H,26,29)
InChIKeyWGFGNHSWNCCGNZ-UHFFFAOYSA-N
XLogP4.66
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide
CID 170695699
N-[2-(dimethylamino)ethyl]-2-(2-nitrophenyl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 170695670
N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 172648766
2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid
CID 123504584
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
1-N-[2-(dimethylamino)ethyl]-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053233
N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide
CID 172648729
N-[2-(dimethylamino)ethyl]-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 110683760
N-[2-(dimethylamino)ethyl]-3-phenylpyridine-4-carboxamide
CID 91804668
N-[2-(dimethylamino)ethyl]-2-methoxy-5-phenylbenzamide
CID 110408034
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 170695556

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (CID 170695675) is N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccccc2C(F)(F)F)[nH]c1-c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is WGFGNHSWNCCGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O/c1-28(2)13-12-26-21(29)17-14-19(27-20(17)15-8-4-3-5-9-15)16-10-6-7-11-18(16)22(23,24)25/h3-11,14,27H,12-13H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 170695675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).