N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide

C23H19F3N2O4 — CID 16551146

IUPACN-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2C(F)(F)F)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H19F3N2O4/c1-31-19-13-18(28-22(30)15-10-6-7-11-16(15)23(24,25)26)20(32-2)12-17(19)27-21(29)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,27,29)(H,28,30)
InChIKeyXVQCMUCBKHLCSU-UHFFFAOYSA-N
MW444.41 g/mol
LogP5.23
Rot. Bonds6

About N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide

N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 16551146) has the molecular formula C23H19F3N2O4 and a molecular weight of 444.41 g/mol. Its IUPAC name is N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide
PubChem CID16551146
Molecular FormulaC23H19F3N2O4
Molecular Weight444.41 g/mol
Exact Mass444.13
IUPAC NameN-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2C(F)(F)F)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H19F3N2O4/c1-31-19-13-18(28-22(30)15-10-6-7-11-16(15)23(24,25)26)20(32-2)12-17(19)27-21(29)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,27,29)(H,28,30)
InChIKeyXVQCMUCBKHLCSU-UHFFFAOYSA-N
XLogP5.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
N-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)benzamide
CID 7778212
2-(2-amino-2-oxoethoxy)-N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 24524390
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
4-benzamido-2,5-dimethoxybenzenesulfonic acid
CID 102438408
N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen
CID 142075017
N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4304532
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628
N-[3-methyl-4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595403

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide (CID 16551146) is N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide is COc1cc(NC(=O)c2ccccc2C(F)(F)F)c(OC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is XVQCMUCBKHLCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O4/c1-31-19-13-18(28-22(30)15-10-6-7-11-16(15)23(24,25)26)20(32-2)12-17(19)27-21(29)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide?
N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 444.41 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-dimethoxyphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 16551146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).