4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

C22H23F3N4O — CID 175986707

IUPAC4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCN(C)CCNC(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(N)cc1
InChIInChI=1S/C22H23F3N4O/c1-29(2)12-11-27-21(30)18-13-28-20(19(18)14-5-9-17(26)10-6-14)15-3-7-16(8-4-15)22(23,24)25/h3-10,13,28H,11-12,26H2,1-2H3,(H,27,30)
InChIKeyATOWYOFWRNPORH-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.24
Rot. Bonds6

About 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 175986707) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID175986707
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCN(C)CCNC(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(N)cc1
InChIInChI=1S/C22H23F3N4O/c1-29(2)12-11-27-21(30)18-13-28-20(19(18)14-5-9-17(26)10-6-14)15-3-7-16(8-4-15)22(23,24)25/h3-10,13,28H,11-12,26H2,1-2H3,(H,27,30)
InChIKeyATOWYOFWRNPORH-UHFFFAOYSA-N
XLogP4.24
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 175986752
N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide
CID 172648729
4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 175986722
ethyl 4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate
CID 175986809
4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109083508
N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide
CID 11792926
N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 166154842
N-[2-(dimethylamino)ethyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 170695675
4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948
3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 172646860
3-amino-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 110849614
4-amino-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 62154340

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (CID 175986707) is 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is CN(C)CCNC(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is ATOWYOFWRNPORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c1-29(2)12-11-27-21(30)18-13-28-20(19(18)14-5-9-17(26)10-6-14)15-3-7-16(8-4-15)22(23,24)25/h3-10,13,28H,11-12,26H2,1-2H3,(H,27,30).
What are the key properties of 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 175986707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).