(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide

C18H14F5NO4 — CID 46530562

IUPAC(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1OC(F)F
InChIInChI=1S/C18H14F5NO4/c1-26-14-8-5-12(10-15(14)27-17(19)20)24-16(25)9-4-11-2-6-13(7-3-11)28-18(21,22)23/h2-10,17H,1H3,(H,24,25)/b9-4+
InChIKeyLYBUUCOQHVHMOC-RUDMXATFSA-N
MW403.30 g/mol
LogP4.85
Rot. Bonds7

About (E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide

(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 46530562) has the molecular formula C18H14F5NO4 and a molecular weight of 403.30 g/mol. Its IUPAC name is (E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID46530562
Molecular FormulaC18H14F5NO4
Molecular Weight403.30 g/mol
Exact Mass403.08
IUPAC Name(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1OC(F)F
InChIInChI=1S/C18H14F5NO4/c1-26-14-8-5-12(10-15(14)27-17(19)20)24-16(25)9-4-11-2-6-13(7-3-11)28-18(21,22)23/h2-10,17H,1H3,(H,24,25)/b9-4+
InChIKeyLYBUUCOQHVHMOC-RUDMXATFSA-N
XLogP4.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 55615883
(E)-3-(4-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 886765
(E)-N-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 6041461
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 2666277
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
(2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 38084227
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 42941670
3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 874226
(E)-N-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957160
(E)-3-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26364650
(Z)-N-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 22301767

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide (CID 46530562) is (E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1OC(F)F.
What is the InChIKey of (E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is LYBUUCOQHVHMOC-RUDMXATFSA-N. The full InChI is InChI=1S/C18H14F5NO4/c1-26-14-8-5-12(10-15(14)27-17(19)20)24-16(25)9-4-11-2-6-13(7-3-11)28-18(21,22)23/h2-10,17H,1H3,(H,24,25)/b9-4+.
What are the key properties of (E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 403.30 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 46530562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).