3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide

C18H16F4N2O3 — CID 30293608

IUPAC3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H16F4N2O3/c19-14-3-1-2-13(8-14)17(26)24-10-16(25)23-9-12-4-6-15(7-5-12)27-11-18(20,21)22/h1-8H,9-11H2,(H,23,25)(H,24,26)
InChIKeyIVNWBQWKZCJUIC-UHFFFAOYSA-N
MW384.33 g/mol
LogP2.81
Rot. Bonds7

About 3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide

3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide (PubChem CID 30293608) has the molecular formula C18H16F4N2O3 and a molecular weight of 384.33 g/mol. Its IUPAC name is 3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide
PubChem CID30293608
Molecular FormulaC18H16F4N2O3
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC Name3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H16F4N2O3/c19-14-3-1-2-13(8-14)17(26)24-10-16(25)23-9-12-4-6-15(7-5-12)27-11-18(20,21)22/h1-8H,9-11H2,(H,23,25)(H,24,26)
InChIKeyIVNWBQWKZCJUIC-UHFFFAOYSA-N
XLogP2.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293255
N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78900659
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712
2-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119701626
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
2-(ethylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60718885
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
tert-butyl N-[3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 31166027
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
N-[2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78900100
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide (CID 30293608) is 3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide is O=C(CNC(=O)c1cccc(F)c1)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide?
The InChIKey is IVNWBQWKZCJUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O3/c19-14-3-1-2-13(8-14)17(26)24-10-16(25)23-9-12-4-6-15(7-5-12)27-11-18(20,21)22/h1-8H,9-11H2,(H,23,25)(H,24,26).
What are the key properties of 3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide?
3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide has a molecular weight of 384.33 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 30293608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).