(E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide

C21H16F3NO2 — CID 100735360

IUPAC(E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)17-9-4-6-15(12-17)14-25-20(26)19(13-18-10-5-11-27-18)16-7-2-1-3-8-16/h1-13H,14H2,(H,25,26)/b19-13+
InChIKeyKIQZKJKAXONYNV-CPNJWEJPSA-N
MW371.36 g/mol
LogP5.16
Rot. Bonds5

About (E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide

(E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide (PubChem CID 100735360) has the molecular formula C21H16F3NO2 and a molecular weight of 371.36 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
PubChem CID100735360
Molecular FormulaC21H16F3NO2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC Name(E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)17-9-4-6-15(12-17)14-25-20(26)19(13-18-10-5-11-27-18)16-7-2-1-3-8-16/h1-13H,14H2,(H,25,26)/b19-13+
InChIKeyKIQZKJKAXONYNV-CPNJWEJPSA-N
XLogP5.16
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 5425994
3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide
CID 86942349
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[(Z)-1-(furan-2-yl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942587
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
(E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide
CID 6389358
2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 159159618
N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide
CID 103599515
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide (CID 100735360) is (E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide is O=C(NCc1cccc(C(F)(F)F)c1)/C(=C/c1ccco1)c1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is KIQZKJKAXONYNV-CPNJWEJPSA-N. The full InChI is InChI=1S/C21H16F3NO2/c22-21(23,24)17-9-4-6-15(12-17)14-25-20(26)19(13-18-10-5-11-27-18)16-7-2-1-3-8-16/h1-13H,14H2,(H,25,26)/b19-13+.
What are the key properties of (E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
(E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 371.36 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 100735360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).