2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide

C25H25ClF3N3O2 — CID 69039787

IUPAC2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(c1ccccc1)N(CCCc1ccc(C(F)(F)F)nc1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C25H25ClF3N3O2/c1-30-24(33)23(18-8-4-3-5-9-18)32(19-11-12-20(26)21(15-19)34-2)14-6-7-17-10-13-22(31-16-17)25(27,28)29/h3-5,8-13,15-16,23H,6-7,14H2,1-2H3,(H,30,33)
InChIKeyFRTFICONQVOFHJ-UHFFFAOYSA-N
MW491.94 g/mol
LogP5.69
Rot. Bonds9

About 2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide

2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide (PubChem CID 69039787) has the molecular formula C25H25ClF3N3O2 and a molecular weight of 491.94 g/mol. Its IUPAC name is 2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide
PubChem CID69039787
Molecular FormulaC25H25ClF3N3O2
Molecular Weight491.94 g/mol
Exact Mass491.16
IUPAC Name2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(c1ccccc1)N(CCCc1ccc(C(F)(F)F)nc1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C25H25ClF3N3O2/c1-30-24(33)23(18-8-4-3-5-9-18)32(19-11-12-20(26)21(15-19)34-2)14-6-7-17-10-13-22(31-16-17)25(27,28)29/h3-5,8-13,15-16,23H,6-7,14H2,1-2H3,(H,30,33)
InChIKeyFRTFICONQVOFHJ-UHFFFAOYSA-N
XLogP5.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.94
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide 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 2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide (CID 69039787) is 2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide is CNC(=O)C(c1ccccc1)N(CCCc1ccc(C(F)(F)F)nc1)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide?
The InChIKey is FRTFICONQVOFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF3N3O2/c1-30-24(33)23(18-8-4-3-5-9-18)32(19-11-12-20(26)21(15-19)34-2)14-6-7-17-10-13-22(31-16-17)25(27,28)29/h3-5,8-13,15-16,23H,6-7,14H2,1-2H3,(H,30,33).
What are the key properties of 2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide?
2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide has a molecular weight of 491.94 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 69039787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).