6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide

C16H23FN2O2 — CID 155253189

IUPAC6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)C(=O)C1(CF)C(C2CCNC2)=CC=CC1C(N)=O
InChIInChI=1S/C16H23FN2O2/c1-10(2)14(20)16(9-17)12(11-6-7-19-8-11)4-3-5-13(16)15(18)21/h3-5,10-11,13,19H,6-9H2,1-2H3,(H2,18,21)
InChIKeyFEWZLLDMAYGMQC-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.37
Rot. Bonds5

About 6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide

6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 155253189) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide
PubChem CID155253189
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)C(=O)C1(CF)C(C2CCNC2)=CC=CC1C(N)=O
InChIInChI=1S/C16H23FN2O2/c1-10(2)14(20)16(9-17)12(11-6-7-19-8-11)4-3-5-13(16)15(18)21/h3-5,10-11,13,19H,6-9H2,1-2H3,(H2,18,21)
InChIKeyFEWZLLDMAYGMQC-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide (CID 155253189) is 6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide is CC(C)C(=O)C1(CF)C(C2CCNC2)=CC=CC1C(N)=O.
What is the InChIKey of 6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is FEWZLLDMAYGMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-10(2)14(20)16(9-17)12(11-6-7-19-8-11)4-3-5-13(16)15(18)21/h3-5,10-11,13,19H,6-9H2,1-2H3,(H2,18,21).
What are the key properties of 6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide?
6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-6-(2-methylpropanoyl)-5-pyrrolidin-3-ylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 155253189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).