N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide

C13H14ClF3N2O — CID 722395

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H14ClF3N2O/c14-10-4-3-9(13(15,16)17)7-11(10)18-12(20)8-19-5-1-2-6-19/h3-4,7H,1-2,5-6,8H2,(H,18,20)
InChIKeyIBIIBSJZIXXZEQ-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.39
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 722395) has the molecular formula C13H14ClF3N2O and a molecular weight of 306.72 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID722395
Molecular FormulaC13H14ClF3N2O
Molecular Weight306.72 g/mol
Exact Mass306.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H14ClF3N2O/c14-10-4-3-9(13(15,16)17)7-11(10)18-12(20)8-19-5-1-2-6-19/h3-4,7H,1-2,5-6,8H2,(H,18,20)
InChIKeyIBIIBSJZIXXZEQ-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide (CID 722395) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is IBIIBSJZIXXZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O/c14-10-4-3-9(13(15,16)17)7-11(10)18-12(20)8-19-5-1-2-6-19/h3-4,7H,1-2,5-6,8H2,(H,18,20).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 306.72 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 722395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).