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

C19H17F5N2O2 — CID 25175786

IUPACN-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H17F5N2O2/c20-18(21)28-14-5-3-4-13(11-14)25-17(27)12-6-7-16(26-8-1-2-9-26)15(10-12)19(22,23)24/h3-7,10-11,18H,1-2,8-9H2,(H,25,27)
InChIKeyCSZJMIWRCUIPRP-UHFFFAOYSA-N
MW400.35 g/mol
LogP5.16
Rot. Bonds5

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

N-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (PubChem CID 25175786) has the molecular formula C19H17F5N2O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
PubChem CID25175786
Molecular FormulaC19H17F5N2O2
Molecular Weight400.35 g/mol
Exact Mass400.12
IUPAC NameN-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H17F5N2O2/c20-18(21)28-14-5-3-4-13(11-14)25-17(27)12-6-7-16(26-8-1-2-9-26)15(10-12)19(22,23)24/h3-7,10-11,18H,1-2,8-9H2,(H,25,27)
InChIKeyCSZJMIWRCUIPRP-UHFFFAOYSA-N
XLogP5.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.35
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide (CID 25175786) is N-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(OC(F)F)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
The InChIKey is CSZJMIWRCUIPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N2O2/c20-18(21)28-14-5-3-4-13(11-14)25-17(27)12-6-7-16(26-8-1-2-9-26)15(10-12)19(22,23)24/h3-7,10-11,18H,1-2,8-9H2,(H,25,27).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide?
N-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide has a molecular weight of 400.35 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 25175786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).