(Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide

C28H20F3NO2 — CID 2328203

IUPAC(Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide
SMILESO=C(Nc1ccccc1F)/C(=C\c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H20F3NO2/c29-24-11-5-6-12-25(24)32-27(33)23(18-22-10-4-7-13-26(22)34-28(30)31)21-16-14-20(15-17-21)19-8-2-1-3-9-19/h1-18,28H,(H,32,33)/b23-18-
InChIKeyYQWRPZZMUKLGTR-NKFKGCMQSA-N
MW459.47 g/mol
LogP7.27
Rot. Bonds7

About (Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide

(Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide (PubChem CID 2328203) has the molecular formula C28H20F3NO2 and a molecular weight of 459.47 g/mol. Its IUPAC name is (Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide
PubChem CID2328203
Molecular FormulaC28H20F3NO2
Molecular Weight459.47 g/mol
Exact Mass459.14
IUPAC Name(Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide
SMILESO=C(Nc1ccccc1F)/C(=C\c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H20F3NO2/c29-24-11-5-6-12-25(24)32-27(33)23(18-22-10-4-7-13-26(22)34-28(30)31)21-16-14-20(15-17-21)19-8-2-1-3-9-19/h1-18,28H,(H,32,33)/b23-18-
InChIKeyYQWRPZZMUKLGTR-NKFKGCMQSA-N
XLogP7.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.47
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide
CID 2328982
(E)-3-[2-(difluoromethoxy)phenyl]-N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-phenylphenyl)prop-2-enamide
CID 2330995
(E)-3-[2-(difluoromethoxy)phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 6039064
3-[2-(difluoromethoxy)phenyl]-1-(4-ethylpiperazin-1-yl)-2-(4-phenylphenyl)prop-2-en-1-one
CID 3298135
(E)-3-[2-(difluoromethoxy)phenyl]-1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylphenyl)prop-2-en-1-one
CID 6080529
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-2-cyano-N-(2-fluorophenyl)prop-2-enamide
CID 7948347
(E)-N'-[2-(2-fluorophenoxy)propanoyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enehydrazide
CID 55534762
N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 3680959
1-(2-fluorophenyl)-3-[(4-phenylbenzoyl)amino]urea
CID 24819044
(Z)-2-benzoyl-3-[2-(difluoromethoxy)phenyl]prop-2-enenitrile
CID 74766181
1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene
CID 76948376
N-[2-(difluoromethoxy)phenyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 2353818

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide (CID 2328203) is (Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide is O=C(Nc1ccccc1F)/C(=C\c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide?
The InChIKey is YQWRPZZMUKLGTR-NKFKGCMQSA-N. The full InChI is InChI=1S/C28H20F3NO2/c29-24-11-5-6-12-25(24)32-27(33)23(18-22-10-4-7-13-26(22)34-28(30)31)21-16-14-20(15-17-21)19-8-2-1-3-9-19/h1-18,28H,(H,32,33)/b23-18-.
What are the key properties of (Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide?
(Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide has a molecular weight of 459.47 g/mol, XLogP of 7.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(difluoromethoxy)phenyl]-N-(2-fluorophenyl)-2-(4-phenylphenyl)prop-2-enamide is sourced from PubChem (CID 2328203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).