3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

C16H12F5NO2 — CID 30293255

IUPAC3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OCC(F)(F)F)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H12F5NO2/c17-12-5-11(6-13(18)7-12)15(23)22-8-10-1-3-14(4-2-10)24-9-16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyOROYYIGOIVUMJF-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.84
Rot. Bonds5

About 3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (PubChem CID 30293255) has the molecular formula C16H12F5NO2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
PubChem CID30293255
Molecular FormulaC16H12F5NO2
Molecular Weight345.27 g/mol
Exact Mass345.08
IUPAC Name3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OCC(F)(F)F)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H12F5NO2/c17-12-5-11(6-13(18)7-12)15(23)22-8-10-1-3-14(4-2-10)24-9-16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyOROYYIGOIVUMJF-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide
CID 30293608
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]furan-3-carboxamide
CID 18149564
2,5-dichloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30342567
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 86991144
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
4-amino-3-nitro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 46511788
2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293453
4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18277019
tert-butyl N-[3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 31166027
2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43042680

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (CID 30293255) is 3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The InChIKey is OROYYIGOIVUMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5NO2/c17-12-5-11(6-13(18)7-12)15(23)22-8-10-1-3-14(4-2-10)24-9-16(19,20)21/h1-7H,8-9H2,(H,22,23).
What are the key properties of 3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide has a molecular weight of 345.27 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 30293255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).