3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide

C22H25F3N2O5 — CID 108933641

IUPAC3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(CNC(=O)C(F)(F)F)cc2)cc(OCC)c1OCC
InChIInChI=1S/C22H25F3N2O5/c1-4-30-17-11-15(12-18(31-5-2)19(17)32-6-3)20(28)27-16-9-7-14(8-10-16)13-26-21(29)22(23,24)25/h7-12H,4-6,13H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyKSKGUWAFPLVOCS-UHFFFAOYSA-N
MW454.45 g/mol
LogP4.31
Rot. Bonds10

About 3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide

3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide (PubChem CID 108933641) has the molecular formula C22H25F3N2O5 and a molecular weight of 454.45 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
PubChem CID108933641
Molecular FormulaC22H25F3N2O5
Molecular Weight454.45 g/mol
Exact Mass454.17
IUPAC Name3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(CNC(=O)C(F)(F)F)cc2)cc(OCC)c1OCC
InChIInChI=1S/C22H25F3N2O5/c1-4-30-17-11-15(12-18(31-5-2)19(17)32-6-3)20(28)27-16-9-7-14(8-10-16)13-26-21(29)22(23,24)25/h7-12H,4-6,13H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyKSKGUWAFPLVOCS-UHFFFAOYSA-N
XLogP4.31
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489
N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 46915048
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108933802
3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide
CID 3960539
N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide
CID 16770916
3,4,5-triethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide
CID 7375733
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1112721

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide (CID 108933641) is 3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide is CCOc1cc(C(=O)Nc2ccc(CNC(=O)C(F)(F)F)cc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide?
The InChIKey is KSKGUWAFPLVOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O5/c1-4-30-17-11-15(12-18(31-5-2)19(17)32-6-3)20(28)27-16-9-7-14(8-10-16)13-26-21(29)22(23,24)25/h7-12H,4-6,13H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide?
3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide has a molecular weight of 454.45 g/mol, XLogP of 4.31, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide is sourced from PubChem (CID 108933641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).