N-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide

C14H14F6N2O — CID 2725742

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H14F6N2O/c15-13(16,17)9-5-10(14(18,19)20)7-11(6-9)21-12(23)8-22-3-1-2-4-22/h5-7H,1-4,8H2,(H,21,23)
InChIKeyJXQDGDGUFNMCTL-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.76
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 2725742) has the molecular formula C14H14F6N2O and a molecular weight of 340.27 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID2725742
Molecular FormulaC14H14F6N2O
Molecular Weight340.27 g/mol
Exact Mass340.10
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H14F6N2O/c15-13(16,17)9-5-10(14(18,19)20)7-11(6-9)21-12(23)8-22-3-1-2-4-22/h5-7H,1-4,8H2,(H,21,23)
InChIKeyJXQDGDGUFNMCTL-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Pyrrocaine
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3',5'-Bis(trifluoromethyl)acetanilide
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CID 9925752
2-(Diethylamino)-2',4'-acetoxylidide
CID 28447
Hydantoin, 3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-
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N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 3157325
1-(3,5-Bis(trifluoromethyl)phenyl)piperazine
CID 770558
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278151
2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2697446
N-(3-Trifluoromethyl-phenyl)-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-acetamide
CID 9549587

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide (CID 2725742) is N-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is JXQDGDGUFNMCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F6N2O/c15-13(16,17)9-5-10(14(18,19)20)7-11(6-9)21-12(23)8-22-3-1-2-4-22/h5-7H,1-4,8H2,(H,21,23).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 340.27 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2725742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).