2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

C17H16F3NO4 — CID 112827443

IUPAC2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESCOc1ccc(O)c(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1
InChIInChI=1S/C17H16F3NO4/c1-24-12-5-6-15(22)14(8-12)16(23)21-9-11-3-2-4-13(7-11)25-10-17(18,19)20/h2-8,22H,9-10H2,1H3,(H,21,23)
InChIKeyNZBSNFPZIUIGJQ-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.27
Rot. Bonds6

About 2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (PubChem CID 112827443) has the molecular formula C17H16F3NO4 and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
PubChem CID112827443
Molecular FormulaC17H16F3NO4
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Name2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESCOc1ccc(O)c(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1
InChIInChI=1S/C17H16F3NO4/c1-24-12-5-6-15(22)14(8-12)16(23)21-9-11-3-2-4-13(7-11)25-10-17(18,19)20/h2-8,22H,9-10H2,1H3,(H,21,23)
InChIKeyNZBSNFPZIUIGJQ-UHFFFAOYSA-N
XLogP3.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-hydroxy-5-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 60728918
3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111182498
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
2-chloro-5-methylsulfonyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 78889136
4-methylsulfanyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 78875500
tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
CID 58686888
3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55743105
N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 60666342
2-hydroxy-N-[(3-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 47292166
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
1-(2-methoxyphenyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 47034671

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (CID 112827443) is 2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is COc1ccc(O)c(C(=O)NCc2cccc(OCC(F)(F)F)c2)c1.
What is the InChIKey of 2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The InChIKey is NZBSNFPZIUIGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4/c1-24-12-5-6-15(22)14(8-12)16(23)21-9-11-3-2-4-13(7-11)25-10-17(18,19)20/h2-8,22H,9-10H2,1H3,(H,21,23).
What are the key properties of 2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide has a molecular weight of 355.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 112827443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).