N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide

C15H11F2NO2 — CID 167449680

IUPACN-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Oc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H11F2NO2/c1-2-15(19)18-11-5-8-14(13(17)9-11)20-12-6-3-10(16)4-7-12/h2-9H,1H2,(H,18,19)
InChIKeyKVKRXIHGWBYVCN-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.88
Rot. Bonds4

About N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide

N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide (PubChem CID 167449680) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide
PubChem CID167449680
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC NameN-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Oc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H11F2NO2/c1-2-15(19)18-11-5-8-14(13(17)9-11)20-12-6-3-10(16)4-7-12/h2-9H,1H2,(H,18,19)
InChIKeyKVKRXIHGWBYVCN-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.88
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-fluorophenoxy)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide
CID 146524990
N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449588
[[3-fluoro-4-(4-fluorophenoxy)phenyl]methylideneamino]urea
CID 54483879
N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide
CID 139520074
N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
N-[4-[(6-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449731
N-[4-[(2-chloro-3-pyridinyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449544
N-[3-fluoro-4-[(2-methyl-3-pyridinyl)methoxy]phenyl]prop-2-enamide
CID 167449682
N-[4-[(2-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449635
N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide
CID 135302300
N-[4-[(3-ethynylphenyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449764
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide?
The IUPAC name of N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide (CID 167449680) is N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(Oc2ccc(F)cc2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide?
The InChIKey is KVKRXIHGWBYVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c1-2-15(19)18-11-5-8-14(13(17)9-11)20-12-6-3-10(16)4-7-12/h2-9H,1H2,(H,18,19).
What are the key properties of N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide?
N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide has a molecular weight of 275.25 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 167449680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).