4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide

C19H20F3NO5 — CID 5163631

IUPAC4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H20F3NO5/c1-25-15-8-14(9-16(26-2)17(15)27-3)23-18(24)13-6-4-12(5-7-13)10-28-11-19(20,21)22/h4-9H,10-11H2,1-3H3,(H,23,24)
InChIKeyZSPGSZDEYGJQHC-UHFFFAOYSA-N
MW399.37 g/mol
LogP4.04
Rot. Bonds8

About 4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide

4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 5163631) has the molecular formula C19H20F3NO5 and a molecular weight of 399.37 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID5163631
Molecular FormulaC19H20F3NO5
Molecular Weight399.37 g/mol
Exact Mass399.13
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H20F3NO5/c1-25-15-8-14(9-16(26-2)17(15)27-3)23-18(24)13-6-4-12(5-7-13)10-28-11-19(20,21)22/h4-9H,10-11H2,1-3H3,(H,23,24)
InChIKeyZSPGSZDEYGJQHC-UHFFFAOYSA-N
XLogP4.04
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide (CID 5163631) is 4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)cc(OC)c1OC.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is ZSPGSZDEYGJQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO5/c1-25-15-8-14(9-16(26-2)17(15)27-3)23-18(24)13-6-4-12(5-7-13)10-28-11-19(20,21)22/h4-9H,10-11H2,1-3H3,(H,23,24).
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 399.37 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethyl)-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 5163631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).