2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid

C22H24F4N2O4 — CID 172895401

IUPAC2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(F)cc1CC(=O)Nc1cccc(C2CCNCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H23FN2O2.C2HF3O2/c1-25-19-6-5-17(21)11-16(19)13-20(24)23-18-4-2-3-15(12-18)14-7-9-22-10-8-14;3-2(4,5)1(6)7/h2-6,11-12,14,22H,7-10,13H2,1H3,(H,23,24);(H,6,7)
InChIKeyZXEFALHAWSPDQE-UHFFFAOYSA-N
MW456.44 g/mol
LogP4.12
Rot. Bonds5

About 2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid

2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 172895401) has the molecular formula C22H24F4N2O4 and a molecular weight of 456.44 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID172895401
Molecular FormulaC22H24F4N2O4
Molecular Weight456.44 g/mol
Exact Mass456.17
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(F)cc1CC(=O)Nc1cccc(C2CCNCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H23FN2O2.C2HF3O2/c1-25-19-6-5-17(21)11-16(19)13-20(24)23-18-4-2-3-15(12-18)14-7-9-22-10-8-14;3-2(4,5)1(6)7/h2-6,11-12,14,22H,7-10,13H2,1H3,(H,23,24);(H,6,7)
InChIKeyZXEFALHAWSPDQE-UHFFFAOYSA-N
XLogP4.12
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide
CID 172895402
[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] acetate
CID 162747260
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
2-[4-(2-aminoethoxy)-3-methoxyphenyl]-N-(3-cycloheptylphenyl)acetamide
CID 22019572
(2,3-dimethoxyphenyl)-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 46781364
N-[3-(4-tert-butylcyclohexyl)phenyl]-2-[4-(2-formamidoethoxy)-3-methoxyphenyl]acetamide
CID 22019592
[4-[2-[3-(4-butylcyclohexyl)anilino]-2-oxoethyl]-2-methoxyphenyl] acetate
CID 142193429
6-(3,4-difluoroanilino)-N-(3-piperidin-4-ylphenyl)hexanamide
CID 10023999
methyl 2-(6-fluoro-4-piperidin-4-ylnaphthalen-2-yl)acetate;2,2,2-trifluoroacetic acid
CID 86686887
N-(3-benzyl-4-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 24571190
5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide
CID 11475881
N-(3-hydroxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 43082666

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid (CID 172895401) is 2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid is COc1ccc(F)cc1CC(=O)Nc1cccc(C2CCNCC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZXEFALHAWSPDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2.C2HF3O2/c1-25-19-6-5-17(21)11-16(19)13-20(24)23-18-4-2-3-15(12-18)14-7-9-22-10-8-14;3-2(4,5)1(6)7/h2-6,11-12,14,22H,7-10,13H2,1H3,(H,23,24);(H,6,7).
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid?
2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 456.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-N-(3-piperidin-4-ylphenyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172895401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).