3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C17H15ClF3NO4 — CID 112804201

IUPAC3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2ccccc2OC(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C17H15ClF3NO4/c1-2-25-14-8-11(7-12(18)15(14)23)16(24)22-9-10-5-3-4-6-13(10)26-17(19,20)21/h3-8,23H,2,9H2,1H3,(H,22,24)
InChIKeyYBDSJHWQWNNJFP-UHFFFAOYSA-N
MW389.76 g/mol
LogP4.27
Rot. Bonds6

About 3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 112804201) has the molecular formula C17H15ClF3NO4 and a molecular weight of 389.76 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID112804201
Molecular FormulaC17H15ClF3NO4
Molecular Weight389.76 g/mol
Exact Mass389.06
IUPAC Name3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2ccccc2OC(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C17H15ClF3NO4/c1-2-25-14-8-11(7-12(18)15(14)23)16(24)22-9-10-5-3-4-6-13(10)26-17(19,20)21/h3-8,23H,2,9H2,1H3,(H,22,24)
InChIKeyYBDSJHWQWNNJFP-UHFFFAOYSA-N
XLogP4.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
1-diethoxyphosphoryl-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3584248
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 41479006
5-[(4,6-dichloro-5-hydroxypyridine-2-carbonyl)amino]-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 169110370
3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34553753
3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide
CID 38073078
4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484
2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 26012483
4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24743255

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 112804201) is 3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is CCOc1cc(C(=O)NCc2ccccc2OC(F)(F)F)cc(Cl)c1O.
What is the InChIKey of 3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is YBDSJHWQWNNJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO4/c1-2-25-14-8-11(7-12(18)15(14)23)16(24)22-9-10-5-3-4-6-13(10)26-17(19,20)21/h3-8,23H,2,9H2,1H3,(H,22,24).
What are the key properties of 3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 389.76 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 112804201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).