2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide

C22H18F4N2O3 — CID 58350760

IUPAC2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide
SMILESO=C1Cc2ccc(NC(=O)C(F)=C3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2O1
InChIInChI=1S/C22H18F4N2O3/c23-20(21(30)27-16-4-1-14-11-19(29)31-18(14)12-16)13-7-9-28(10-8-13)17-5-2-15(3-6-17)22(24,25)26/h1-6,12H,7-11H2,(H,27,30)
InChIKeyBYKKKRSARNIHJA-UHFFFAOYSA-N
MW434.39 g/mol
LogP4.63
Rot. Bonds3

About 2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide

2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide (PubChem CID 58350760) has the molecular formula C22H18F4N2O3 and a molecular weight of 434.39 g/mol. Its IUPAC name is 2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide.

Molecular Properties

Compound Name2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide
PubChem CID58350760
Molecular FormulaC22H18F4N2O3
Molecular Weight434.39 g/mol
Exact Mass434.13
IUPAC Name2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide
SMILESO=C1Cc2ccc(NC(=O)C(F)=C3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2O1
InChIInChI=1S/C22H18F4N2O3/c23-20(21(30)27-16-4-1-14-11-19(29)31-18(14)12-16)13-7-9-28(10-8-13)17-5-2-15(3-6-17)22(24,25)26/h1-6,12H,7-11H2,(H,27,30)
InChIKeyBYKKKRSARNIHJA-UHFFFAOYSA-N
XLogP4.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide
CID 58350640
2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58350655
2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 58350750
2-[1-[4-(difluoromethoxy)phenyl]piperidin-4-ylidene]-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58350730
2-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58350844
2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467685
N-(3H-indol-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 58350682
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 25258480
6-[[2-[4-(2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]-2-oxoethyl]amino]-3H-1-benzofuran-2-one
CID 58467381
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide
CID 25260087
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
2-[(2R,5R)-4-(4-chloro-3-fluorophenyl)-2,5-dimethylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467791

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide?
The IUPAC name of 2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide (CID 58350760) is 2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide.
What is the SMILES notation for 2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide?
The canonical SMILES for 2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide is O=C1Cc2ccc(NC(=O)C(F)=C3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2O1.
What is the InChIKey of 2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide?
The InChIKey is BYKKKRSARNIHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N2O3/c23-20(21(30)27-16-4-1-14-11-19(29)31-18(14)12-16)13-7-9-28(10-8-13)17-5-2-15(3-6-17)22(24,25)26/h1-6,12H,7-11H2,(H,27,30).
What are the key properties of 2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide?
2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide has a molecular weight of 434.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetamide is sourced from PubChem (CID 58350760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).