N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide

C17H15F2NO2 — CID 135302300

IUPACN-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Oc2ccc(C(C)(F)F)cc2)cc1
InChIInChI=1S/C17H15F2NO2/c1-3-16(21)20-13-6-10-15(11-7-13)22-14-8-4-12(5-9-14)17(2,18)19/h3-11H,1H2,2H3,(H,20,21)
InChIKeyZTENZDFKITYHJM-UHFFFAOYSA-N
MW303.31 g/mol
LogP4.72
Rot. Bonds5

About N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide

N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide (PubChem CID 135302300) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide
PubChem CID135302300
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC NameN-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Oc2ccc(C(C)(F)F)cc2)cc1
InChIInChI=1S/C17H15F2NO2/c1-3-16(21)20-13-6-10-15(11-7-13)22-14-8-4-12(5-9-14)17(2,18)19/h3-11H,1H2,2H3,(H,20,21)
InChIKeyZTENZDFKITYHJM-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 54.72
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

N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
tris[4-[2-[4-(prop-2-enoylamino)phenyl]propan-2-yl]phenyl] phosphate
CID 91029809
[4-(prop-2-enoylamino)phenyl] 2-bromo-2-methylpropanoate
CID 102031609
tert-butyl N-[4-(prop-2-enoylamino)phenyl]carbamate
CID 70001681
N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 43616366
N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403507
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138
N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide
CID 139520074
N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide
CID 19795365
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide
CID 167449680
N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 166414376

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide (CID 135302300) is N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(Oc2ccc(C(C)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide?
The InChIKey is ZTENZDFKITYHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c1-3-16(21)20-13-6-10-15(11-7-13)22-14-8-4-12(5-9-14)17(2,18)19/h3-11H,1H2,2H3,(H,20,21).
What are the key properties of N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide?
N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide has a molecular weight of 303.31 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 135302300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).