4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide

C19H16F6N2O2 — CID 53319590

IUPAC4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H16F6N2O2/c20-18(21,22)15-10-12(6-7-16(15)27-8-1-2-9-27)17(28)26-13-4-3-5-14(11-13)29-19(23,24)25/h3-7,10-11H,1-2,8-9H2,(H,26,28)
InChIKeyVMXPJBULZRPIDC-UHFFFAOYSA-N
MW418.34 g/mol
LogP5.46
Rot. Bonds4

About 4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide

4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 53319590) has the molecular formula C19H16F6N2O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID53319590
Molecular FormulaC19H16F6N2O2
Molecular Weight418.34 g/mol
Exact Mass418.11
IUPAC Name4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H16F6N2O2/c20-18(21,22)15-10-12(6-7-16(15)27-8-1-2-9-27)17(28)26-13-4-3-5-14(11-13)29-19(23,24)25/h3-7,10-11H,1-2,8-9H2,(H,26,28)
InChIKeyVMXPJBULZRPIDC-UHFFFAOYSA-N
XLogP5.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.34
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide (CID 53319590) is 4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VMXPJBULZRPIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O2/c20-18(21,22)15-10-12(6-7-16(15)27-8-1-2-9-27)17(28)26-13-4-3-5-14(11-13)29-19(23,24)25/h3-7,10-11H,1-2,8-9H2,(H,26,28).
What are the key properties of 4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide?
4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 418.34 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-N-[3-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 53319590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).