3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide

C19H17F6NO4 — CID 18286098

IUPAC3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H17F6NO4/c1-28-14-8-16(30-3)15(29-2)6-11(14)9-26-17(27)10-4-12(18(20,21)22)7-13(5-10)19(23,24)25/h4-8H,9H2,1-3H3,(H,26,27)
InChIKeyKJVLRBAFBMIRIB-UHFFFAOYSA-N
MW437.34 g/mol
LogP4.68
Rot. Bonds6

About 3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide

3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 18286098) has the molecular formula C19H17F6NO4 and a molecular weight of 437.34 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID18286098
Molecular FormulaC19H17F6NO4
Molecular Weight437.34 g/mol
Exact Mass437.11
IUPAC Name3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H17F6NO4/c1-28-14-8-16(30-3)15(29-2)6-11(14)9-26-17(27)10-4-12(18(20,21)22)7-13(5-10)19(23,24)25/h4-8H,9H2,1-3H3,(H,26,27)
InChIKeyKJVLRBAFBMIRIB-UHFFFAOYSA-N
XLogP4.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294
4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 8511792
N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 90536144
2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 103602966
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
2-hydroxy-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18116275
3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
CID 5133336
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
5-nitro-N-[(2,4,5-trimethoxyphenyl)methyl]thiophene-3-carboxamide
CID 46486897
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52764158
1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]urea
CID 31067722
tert-butyl N-[2-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 52778261

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide (CID 18286098) is 3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(OC)c(OC)cc1CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is KJVLRBAFBMIRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6NO4/c1-28-14-8-16(30-3)15(29-2)6-11(14)9-26-17(27)10-4-12(18(20,21)22)7-13(5-10)19(23,24)25/h4-8H,9H2,1-3H3,(H,26,27).
What are the key properties of 3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 437.34 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 18286098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).