4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide

C17H14F4N2O3 — CID 78876425

IUPAC4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)COc1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H14F4N2O3/c18-12-4-1-11(14(7-12)17(19,20)21)8-23-16(25)10-2-5-13(6-3-10)26-9-15(22)24/h1-7H,8-9H2,(H2,22,24)(H,23,25)
InChIKeyPBQCYIHMOGBLFL-UHFFFAOYSA-N
MW370.30 g/mol
LogP2.64
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide

4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 78876425) has the molecular formula C17H14F4N2O3 and a molecular weight of 370.30 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID78876425
Molecular FormulaC17H14F4N2O3
Molecular Weight370.30 g/mol
Exact Mass370.09
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESNC(=O)COc1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1
InChIInChI=1S/C17H14F4N2O3/c18-12-4-1-11(14(7-12)17(19,20)21)8-23-16(25)10-2-5-13(6-3-10)26-9-15(22)24/h1-7H,8-9H2,(H2,22,24)(H,23,25)
InChIKeyPBQCYIHMOGBLFL-UHFFFAOYSA-N
XLogP2.64
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 17452852
4-ethoxy-N-[1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55705631
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
CID 163867885
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55705683
2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55705908
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486353
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55721215
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
2,3-dichloro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 10270238
4-[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548854
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-hydroxy-5-methylbenzamide
CID 46474447
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526072

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide (CID 78876425) is 4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide is NC(=O)COc1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is PBQCYIHMOGBLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N2O3/c18-12-4-1-11(14(7-12)17(19,20)21)8-23-16(25)10-2-5-13(6-3-10)26-9-15(22)24/h1-7H,8-9H2,(H2,22,24)(H,23,25).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide?
4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 370.30 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 78876425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).