2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide

C20H15ClF3N3O — CID 90112434

IUPAC2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H15ClF3N3O/c21-14-3-1-2-13(9-14)17-10-16(11-18(27-17)20(22,23)24)26-15-6-4-12(5-7-15)8-19(25)28/h1-7,9-11H,8H2,(H2,25,28)(H,26,27)
InChIKeyKPHJDNORKLMWDG-UHFFFAOYSA-N
MW405.81 g/mol
LogP5.19
Rot. Bonds5

About 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide

2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide (PubChem CID 90112434) has the molecular formula C20H15ClF3N3O and a molecular weight of 405.81 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
PubChem CID90112434
Molecular FormulaC20H15ClF3N3O
Molecular Weight405.81 g/mol
Exact Mass405.09
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H15ClF3N3O/c21-14-3-1-2-13(9-14)17-10-16(11-18(27-17)20(22,23)24)26-15-6-4-12(5-7-15)8-19(25)28/h1-7,9-11H,8H2,(H2,25,28)(H,26,27)
InChIKeyKPHJDNORKLMWDG-UHFFFAOYSA-N
XLogP5.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.81
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide (CID 90112434) is 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide is NC(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
The InChIKey is KPHJDNORKLMWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O/c21-14-3-1-2-13(9-14)17-10-16(11-18(27-17)20(22,23)24)26-15-6-4-12(5-7-15)8-19(25)28/h1-7,9-11H,8H2,(H2,25,28)(H,26,27).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide?
2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide has a molecular weight of 405.81 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide is sourced from PubChem (CID 90112434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).