N-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid

C25H22F6N4O5 — CID 117076476

IUPACN-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(CC(=O)Nc2cc(Nc3ccccc3NC(C)=O)c(C(F)(F)F)cn2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H21F3N4O3.C2HF3O2/c1-14(31)28-18-5-3-4-6-19(18)29-20-12-21(27-13-17(20)23(24,25)26)30-22(32)11-15-7-9-16(33-2)10-8-15;3-2(4,5)1(6)7/h3-10,12-13H,11H2,1-2H3,(H,28,31)(H2,27,29,30,32);(H,6,7)
InChIKeyOLQOKTFVYXZESX-UHFFFAOYSA-N
MW572.46 g/mol
LogP5.63
Rot. Bonds7

About N-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid

N-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 117076476) has the molecular formula C25H22F6N4O5 and a molecular weight of 572.46 g/mol. Its IUPAC name is N-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID117076476
Molecular FormulaC25H22F6N4O5
Molecular Weight572.46 g/mol
Exact Mass572.15
IUPAC NameN-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(CC(=O)Nc2cc(Nc3ccccc3NC(C)=O)c(C(F)(F)F)cn2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H21F3N4O3.C2HF3O2/c1-14(31)28-18-5-3-4-6-19(18)29-20-12-21(27-13-17(20)23(24,25)26)30-22(32)11-15-7-9-16(33-2)10-8-15;3-2(4,5)1(6)7/h3-10,12-13H,11H2,1-2H3,(H,28,31)(H2,27,29,30,32);(H,6,7)
InChIKeyOLQOKTFVYXZESX-UHFFFAOYSA-N
XLogP5.63
TPSA129.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.46
LogP ≤ 55.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]phenyl]acetamide
CID 66957852
N-(2-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 890877
3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117074531
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113046657
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
N-[5-[benzyl(methyl)amino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113026912
5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109199921
anisole;2,2,2-trifluoroacetic acid
CID 66633105
2,2,2-trifluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108933536
2-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 690614
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113019975

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid (CID 117076476) is N-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid is COc1ccc(CC(=O)Nc2cc(Nc3ccccc3NC(C)=O)c(C(F)(F)F)cn2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is OLQOKTFVYXZESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3.C2HF3O2/c1-14(31)28-18-5-3-4-6-19(18)29-20-12-21(27-13-17(20)23(24,25)26)30-22(32)11-15-7-9-16(33-2)10-8-15;3-2(4,5)1(6)7/h3-10,12-13H,11H2,1-2H3,(H,28,31)(H2,27,29,30,32);(H,6,7).
What are the key properties of N-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid?
N-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 572.46 g/mol, XLogP of 5.63, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetamidoanilino)-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117076476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).