4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide

C16H15F3N2O2 — CID 17442920

IUPAC4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H15F3N2O2/c1-10(22)12-8-14(21-9-12)15(23)20-7-6-11-2-4-13(5-3-11)16(17,18)19/h2-5,8-9,21H,6-7H2,1H3,(H,20,23)
InChIKeyCRVHSPRSVVYUPR-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.21
Rot. Bonds5

About 4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 17442920) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID17442920
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H15F3N2O2/c1-10(22)12-8-14(21-9-12)15(23)20-7-6-11-2-4-13(5-3-11)16(17,18)19/h2-5,8-9,21H,6-7H2,1H3,(H,20,23)
InChIKeyCRVHSPRSVVYUPR-UHFFFAOYSA-N
XLogP3.21
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
2-(5-acetyl-2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 31146981
N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110789374
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594284
4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774274
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
3,5-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-4-carboxamide
CID 167936191
4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 83039375
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
3-(1,3-dimethylpyrazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide
CID 46975020
4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylic acid
CID 62116453

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide (CID 17442920) is 4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is CRVHSPRSVVYUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-10(22)12-8-14(21-9-12)15(23)20-7-6-11-2-4-13(5-3-11)16(17,18)19/h2-5,8-9,21H,6-7H2,1H3,(H,20,23).
What are the key properties of 4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 17442920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).