N-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide

C18H14F3NO3 — CID 151999378

IUPACN-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1COc2cc(Oc3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C18H14F3NO3/c1-2-17(23)22-15-10-24-16-9-13(7-8-14(15)16)25-12-5-3-11(4-6-12)18(19,20)21/h2-9,15H,1,10H2,(H,22,23)
InChIKeyUGIUYFANCDRHOQ-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.23
Rot. Bonds4

About N-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide

N-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide (PubChem CID 151999378) has the molecular formula C18H14F3NO3 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide
PubChem CID151999378
Molecular FormulaC18H14F3NO3
Molecular Weight349.31 g/mol
Exact Mass349.09
IUPAC NameN-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1COc2cc(Oc3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C18H14F3NO3/c1-2-17(23)22-15-10-24-16-9-13(7-8-14(15)16)25-12-5-3-11(4-6-12)18(19,20)21/h2-9,15H,1,10H2,(H,22,23)
InChIKeyUGIUYFANCDRHOQ-UHFFFAOYSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide?
The IUPAC name of N-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide (CID 151999378) is N-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide.
What is the SMILES notation for N-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide?
The canonical SMILES for N-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide is C=CC(=O)NC1COc2cc(Oc3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of N-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide?
The InChIKey is UGIUYFANCDRHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3/c1-2-17(23)22-15-10-24-16-9-13(7-8-14(15)16)25-12-5-3-11(4-6-12)18(19,20)21/h2-9,15H,1,10H2,(H,22,23).
What are the key properties of N-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide?
N-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide has a molecular weight of 349.31 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1-benzofuran-3-yl]prop-2-enamide is sourced from PubChem (CID 151999378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).