N-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide

C24H21F3N2O2 — CID 53319591

IUPACN-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C24H21F3N2O2/c25-24(26,27)21-15-17(11-12-22(21)29-13-4-5-14-29)23(30)28-18-7-6-10-20(16-18)31-19-8-2-1-3-9-19/h1-3,6-12,15-16H,4-5,13-14H2,(H,28,30)
InChIKeyLZITYSWDKXUWGU-UHFFFAOYSA-N
MW426.44 g/mol
LogP6.35
Rot. Bonds5

About N-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide

N-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (PubChem CID 53319591) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
PubChem CID53319591
Molecular FormulaC24H21F3N2O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC NameN-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C24H21F3N2O2/c25-24(26,27)21-15-17(11-12-22(21)29-13-4-5-14-29)23(30)28-18-7-6-10-20(16-18)31-19-8-2-1-3-9-19/h1-3,6-12,15-16H,4-5,13-14H2,(H,28,30)
InChIKeyLZITYSWDKXUWGU-UHFFFAOYSA-N
XLogP6.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (CID 53319591) is N-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The InChIKey is LZITYSWDKXUWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c25-24(26,27)21-15-17(11-12-22(21)29-13-4-5-14-29)23(30)28-18-7-6-10-20(16-18)31-19-8-2-1-3-9-19/h1-3,6-12,15-16H,4-5,13-14H2,(H,28,30).
What are the key properties of N-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
N-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide has a molecular weight of 426.44 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 53319591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).