3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

C18H14F6N2O3 — CID 154337110

IUPAC3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1ccc(O)c(C(=O)N(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H14F6N2O3/c1-25-15(28)9-3-4-14(27)13(5-9)16(29)26(2)12-7-10(17(19,20)21)6-11(8-12)18(22,23)24/h3-8,27H,1-2H3,(H,25,28)
InChIKeyFJOWEDCYJLIACX-UHFFFAOYSA-N
MW420.31 g/mol
LogP4.07
Rot. Bonds3

About 3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (PubChem CID 154337110) has the molecular formula C18H14F6N2O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is 3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
PubChem CID154337110
Molecular FormulaC18H14F6N2O3
Molecular Weight420.31 g/mol
Exact Mass420.09
IUPAC Name3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1ccc(O)c(C(=O)N(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H14F6N2O3/c1-25-15(28)9-3-4-14(27)13(5-9)16(29)26(2)12-7-10(17(19,20)21)6-11(8-12)18(22,23)24/h3-8,27H,1-2H3,(H,25,28)
InChIKeyFJOWEDCYJLIACX-UHFFFAOYSA-N
XLogP4.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (CID 154337110) is 3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is CNC(=O)c1ccc(O)c(C(=O)N(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is FJOWEDCYJLIACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N2O3/c1-25-15(28)9-3-4-14(27)13(5-9)16(29)26(2)12-7-10(17(19,20)21)6-11(8-12)18(22,23)24/h3-8,27H,1-2H3,(H,25,28).
What are the key properties of 3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 420.31 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 154337110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).