4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

C21H19F3N2O2 — CID 175986752

IUPAC4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCCCNC(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1cccc(O)c1
InChIInChI=1S/C21H19F3N2O2/c1-2-10-25-20(28)17-12-26-19(18(17)14-4-3-5-16(27)11-14)13-6-8-15(9-7-13)21(22,23)24/h3-9,11-12,26-27H,2,10H2,1H3,(H,25,28)
InChIKeyNJWDFABTXGGNMH-UHFFFAOYSA-N
MW388.39 g/mol
LogP5.21
Rot. Bonds5

About 4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 175986752) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID175986752
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCCCNC(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1cccc(O)c1
InChIInChI=1S/C21H19F3N2O2/c1-2-10-25-20(28)17-12-26-19(18(17)14-4-3-5-16(27)11-14)13-6-8-15(9-7-13)21(22,23)24/h3-9,11-12,26-27H,2,10H2,1H3,(H,25,28)
InChIKeyNJWDFABTXGGNMH-UHFFFAOYSA-N
XLogP5.21
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-ethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 175986722
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
4-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylbenzamide
CID 169272158
4-(2-nitrophenyl)-5-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-3-carboxamide
CID 175986787
N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 134460179
ethyl 4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate
CID 175986809
6-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 169271345
N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide
CID 117079660
2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 86921324
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871
2-(propylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269363

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (CID 175986752) is 4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is CCCNC(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1cccc(O)c1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is NJWDFABTXGGNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-2-10-25-20(28)17-12-26-19(18(17)14-4-3-5-16(27)11-14)13-6-8-15(9-7-13)21(22,23)24/h3-9,11-12,26-27H,2,10H2,1H3,(H,25,28).
What are the key properties of 4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 5.21, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-N-propyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 175986752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).