1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide

C26H23FN2O — CID 3814503

IUPAC1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccccc2)c(-c2ccccc2)n1CCc1cccc(F)c1
InChIInChI=1S/C26H23FN2O/c1-18-23(26(28)30)24(20-10-4-2-5-11-20)25(21-12-6-3-7-13-21)29(18)16-15-19-9-8-14-22(27)17-19/h2-14,17H,15-16H2,1H3,(H2,28,30)
InChIKeySYQLGOBFHUYJGA-UHFFFAOYSA-N
MW398.48 g/mol
LogP5.61
Rot. Bonds6

About 1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide (PubChem CID 3814503) has the molecular formula C26H23FN2O and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
PubChem CID3814503
Molecular FormulaC26H23FN2O
Molecular Weight398.48 g/mol
Exact Mass398.18
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccccc2)c(-c2ccccc2)n1CCc1cccc(F)c1
InChIInChI=1S/C26H23FN2O/c1-18-23(26(28)30)24(20-10-4-2-5-11-20)25(21-12-6-3-7-13-21)29(18)16-15-19-9-8-14-22(27)17-19/h2-14,17H,15-16H2,1H3,(H2,28,30)
InChIKeySYQLGOBFHUYJGA-UHFFFAOYSA-N
XLogP5.61
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.48
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide
CID 3416100
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491439
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491442
1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3748139
4-(3-fluorophenyl)-2-methyl-5-pentyl-1-propylpyrrole-3-carboxamide
CID 3697404
1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491446
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3849207
1-(3,3-dimethylbutyl)-4-(3-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3445576
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3842962
methyl 3-[4-carbamoyl-5-methyl-1-(2-phenylethyl)-3-[3-(trifluoromethoxy)phenyl]pyrrol-2-yl]propanoate
CID 3711389
1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide (CID 3814503) is 1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide is Cc1c(C(N)=O)c(-c2ccccc2)c(-c2ccccc2)n1CCc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
The InChIKey is SYQLGOBFHUYJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O/c1-18-23(26(28)30)24(20-10-4-2-5-11-20)25(21-12-6-3-7-13-21)29(18)16-15-19-9-8-14-22(27)17-19/h2-14,17H,15-16H2,1H3,(H2,28,30).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide is sourced from PubChem (CID 3814503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).