N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C21H22F3NO4 — CID 46803189

IUPACN-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C21H22F3NO4/c22-21(23,24)14-27-12-15-6-8-16(9-7-15)20(26)25-17-3-1-4-18(11-17)29-13-19-5-2-10-28-19/h1,3-4,6-9,11,19H,2,5,10,12-14H2,(H,25,26)
InChIKeyQIHCLFNMBLQMRE-UHFFFAOYSA-N
MW409.40 g/mol
LogP4.58
Rot. Bonds8

About N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 46803189) has the molecular formula C21H22F3NO4 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID46803189
Molecular FormulaC21H22F3NO4
Molecular Weight409.40 g/mol
Exact Mass409.15
IUPAC NameN-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C21H22F3NO4/c22-21(23,24)14-27-12-15-6-8-16(9-7-15)20(26)25-17-3-1-4-18(11-17)29-13-19-5-2-10-28-19/h1,3-4,6-9,11,19H,2,5,10,12-14H2,(H,25,26)
InChIKeyQIHCLFNMBLQMRE-UHFFFAOYSA-N
XLogP4.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 16580872
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
CID 17232441
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17222424
4-[[[3-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 122075807
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46803573
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560650

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 46803189) is N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(Nc1cccc(OCC2CCCO2)c1)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is QIHCLFNMBLQMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO4/c22-21(23,24)14-27-12-15-6-8-16(9-7-15)20(26)25-17-3-1-4-18(11-17)29-13-19-5-2-10-28-19/h1,3-4,6-9,11,19H,2,5,10,12-14H2,(H,25,26).
What are the key properties of N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 409.40 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 46803189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).