N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide

C20H23F3N2O4 — CID 16770916

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc(OCC)c1OCC
InChIInChI=1S/C20H23F3N2O4/c1-4-27-16-9-12(10-17(28-5-2)18(16)29-6-3)19(26)25-13-7-8-15(24)14(11-13)20(21,22)23/h7-11H,4-6,24H2,1-3H3,(H,25,26)
InChIKeyMGUMVKNWTQAARX-UHFFFAOYSA-N
MW412.41 g/mol
LogP4.74
Rot. Bonds8

About N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide

N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide (PubChem CID 16770916) has the molecular formula C20H23F3N2O4 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide
PubChem CID16770916
Molecular FormulaC20H23F3N2O4
Molecular Weight412.41 g/mol
Exact Mass412.16
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc(OCC)c1OCC
InChIInChI=1S/C20H23F3N2O4/c1-4-27-16-9-12(10-17(28-5-2)18(16)29-6-3)19(26)25-13-7-8-15(24)14(11-13)20(21,22)23/h7-11H,4-6,24H2,1-3H3,(H,25,26)
InChIKeyMGUMVKNWTQAARX-UHFFFAOYSA-N
XLogP4.74
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 16770362
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide
CID 16771044
3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108933641
3,5-dichloro-4-ethoxy-N-[4-formyl-3-(trifluoromethyl)phenyl]benzamide
CID 88964633
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3,4,5-triethoxybenzamide
CID 55727633
N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 79095580
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
N-(9,10-dioxoanthracen-2-yl)-3,4,5-triethoxybenzamide
CID 2892221
3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190067

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide (CID 16770916) is N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc(OCC)c1OCC.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide?
The InChIKey is MGUMVKNWTQAARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O4/c1-4-27-16-9-12(10-17(28-5-2)18(16)29-6-3)19(26)25-13-7-8-15(24)14(11-13)20(21,22)23/h7-11H,4-6,24H2,1-3H3,(H,25,26).
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide?
N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide has a molecular weight of 412.41 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(trifluoromethyl)phenyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 16770916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).