1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide

C24H25F3N2O2 — CID 3481918

IUPAC1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
SMILESCCCCc1c(-c2cccc(OC(F)(F)F)c2)c(C(N)=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C24H25F3N2O2/c1-3-4-13-20-22(18-11-8-12-19(14-18)31-24(25,26)27)21(23(28)30)16(2)29(20)15-17-9-6-5-7-10-17/h5-12,14H,3-4,13,15H2,1-2H3,(H2,28,30)
InChIKeyCYFSCFNDJRIJPC-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.85
Rot. Bonds8

About 1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide

1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide (PubChem CID 3481918) has the molecular formula C24H25F3N2O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
PubChem CID3481918
Molecular FormulaC24H25F3N2O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
SMILESCCCCc1c(-c2cccc(OC(F)(F)F)c2)c(C(N)=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C24H25F3N2O2/c1-3-4-13-20-22(18-11-8-12-19(14-18)31-24(25,26)27)21(23(28)30)16(2)29(20)15-17-9-6-5-7-10-17/h5-12,14H,3-4,13,15H2,1-2H3,(H2,28,30)
InChIKeyCYFSCFNDJRIJPC-UHFFFAOYSA-N
XLogP5.85
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-methyl-5-propyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 4988191
5-butyl-2-methyl-1-(pyridin-2-ylmethyl)-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 4989275
1-butyl-5-ethyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 5100318
methyl 3-[4-carbamoyl-5-methyl-1-(2-phenylethyl)-3-[3-(trifluoromethoxy)phenyl]pyrrol-2-yl]propanoate
CID 3711389
1-benzyl-5-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3731786
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-propyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3775192
5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide
CID 3781030
methyl 4-(1-benzyl-4-carbamoyl-5-methyl-2-pentylpyrrol-3-yl)benzoate
CID 3740968
5-ethyl-2-methyl-1-(2-piperidin-1-ylethyl)-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3474849
4-(4-bromophenyl)-5-butyl-1-[(3-chlorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3287721
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide (CID 3481918) is 1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide is CCCCc1c(-c2cccc(OC(F)(F)F)c2)c(C(N)=O)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide?
The InChIKey is CYFSCFNDJRIJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O2/c1-3-4-13-20-22(18-11-8-12-19(14-18)31-24(25,26)27)21(23(28)30)16(2)29(20)15-17-9-6-5-7-10-17/h5-12,14H,3-4,13,15H2,1-2H3,(H2,28,30).
What are the key properties of 1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide?
1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 3481918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).