N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide

C21H15F2NO2 — CID 139520074

IUPACN-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Oc2cccc(-c3cc(F)cc(F)c3)c2)cc1
InChIInChI=1S/C21H15F2NO2/c1-2-21(25)24-18-6-8-19(9-7-18)26-20-5-3-4-14(12-20)15-10-16(22)13-17(23)11-15/h2-13H,1H2,(H,24,25)
InChIKeyCJYJTOFHODQWBC-UHFFFAOYSA-N
MW351.35 g/mol
LogP5.55
Rot. Bonds5

About N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide

N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide (PubChem CID 139520074) has the molecular formula C21H15F2NO2 and a molecular weight of 351.35 g/mol. Its IUPAC name is N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide
PubChem CID139520074
Molecular FormulaC21H15F2NO2
Molecular Weight351.35 g/mol
Exact Mass351.11
IUPAC NameN-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Oc2cccc(-c3cc(F)cc(F)c3)c2)cc1
InChIInChI=1S/C21H15F2NO2/c1-2-21(25)24-18-6-8-19(9-7-18)26-20-5-3-4-14(12-20)15-10-16(22)13-17(23)11-15/h2-13H,1H2,(H,24,25)
InChIKeyCJYJTOFHODQWBC-UHFFFAOYSA-N
XLogP5.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.35
LogP ≤ 55.55
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
N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide
CID 167449680
N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]prop-2-enamide
CID 135302300
N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide
CID 155667168
N-[4-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]prop-2-enamide
CID 89266732
3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
CID 3108222
N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 166414376
2-chloro-N-[4-(3-fluorophenoxy)phenyl]acetamide
CID 39379903
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138
(E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide
CID 7925007

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide (CID 139520074) is N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(Oc2cccc(-c3cc(F)cc(F)c3)c2)cc1.
What is the InChIKey of N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide?
The InChIKey is CJYJTOFHODQWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO2/c1-2-21(25)24-18-6-8-19(9-7-18)26-20-5-3-4-14(12-20)15-10-16(22)13-17(23)11-15/h2-13H,1H2,(H,24,25).
What are the key properties of N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide?
N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide has a molecular weight of 351.35 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3,5-difluorophenyl)phenoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 139520074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).