N-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide

C21H15F3N2O3 — CID 1128742

IUPACN-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C(=Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C21H15F3N2O3/c22-21(23,24)16-10-4-5-11-17(16)25-20(28)18(13-15-9-6-12-29-15)26-19(27)14-7-2-1-3-8-14/h1-13H,(H,25,28)(H,26,27)
InChIKeyXQNLTAAUVLYREK-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.71
Rot. Bonds5

About N-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide

N-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide (PubChem CID 1128742) has the molecular formula C21H15F3N2O3 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide
PubChem CID1128742
Molecular FormulaC21H15F3N2O3
Molecular Weight400.36 g/mol
Exact Mass400.10
IUPAC NameN-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C(=Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C21H15F3N2O3/c22-21(23,24)16-10-4-5-11-17(16)25-20(28)18(13-15-9-6-12-29-15)26-19(27)14-7-2-1-3-8-14/h1-13H,(H,25,28)(H,26,27)
InChIKeyXQNLTAAUVLYREK-UHFFFAOYSA-N
XLogP4.71
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-[1-oxo-1-[2-(trifluoromethyl)anilino]butan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19310924
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 5305148
N-[1-(furan-2-yl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 828229
N-[(Z)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942191
N-[1-(furan-2-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3092968
3-[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 19057350
N-[3-[[3-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-2-hydroxypropyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3821366
N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 5344061
N-[(Z)-3-(2-fluoro-4-propan-2-yloxyanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942551
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-1-ylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 99868613
N-[(E)-1-(furan-2-yl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2063946
4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 103599554

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide?
The IUPAC name of N-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide (CID 1128742) is N-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide is O=C(Nc1ccccc1C(F)(F)F)C(=Cc1ccco1)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide?
The InChIKey is XQNLTAAUVLYREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3/c22-21(23,24)16-10-4-5-11-17(16)25-20(28)18(13-15-9-6-12-29-15)26-19(27)14-7-2-1-3-8-14/h1-13H,(H,25,28)(H,26,27).
What are the key properties of N-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide?
N-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide has a molecular weight of 400.36 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide is sourced from PubChem (CID 1128742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).