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

C18H17F2NO2 — CID 7923768

IUPAC(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H17F2NO2/c1-2-14-5-3-4-6-16(14)21-17(22)12-9-13-7-10-15(11-8-13)23-18(19)20/h3-12,18H,2H2,1H3,(H,21,22)/b12-9+
InChIKeyATZMKQGALYSGLS-FMIVXFBMSA-N
MW317.34 g/mol
LogP4.50
Rot. Bonds6

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

(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide (PubChem CID 7923768) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide
PubChem CID7923768
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC Name(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H17F2NO2/c1-2-14-5-3-4-6-16(14)21-17(22)12-9-13-7-10-15(11-8-13)23-18(19)20/h3-12,18H,2H2,1H3,(H,21,22)/b12-9+
InChIKeyATZMKQGALYSGLS-FMIVXFBMSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.50
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

(E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7920115
N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1376965
3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 3637255
(Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
CID 19394362
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2,6-dimethylphenyl)prop-2-enamide
CID 8502468
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 18075413
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7996760
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
(E)-N-(5-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 8759050
N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 3916124
(E)-N-(4-chloro-2-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7914580
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 7958328

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide (CID 7923768) is (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide is CCc1ccccc1NC(=O)/C=C/c1ccc(OC(F)F)cc1.
What is the InChIKey of (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide?
The InChIKey is ATZMKQGALYSGLS-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H17F2NO2/c1-2-14-5-3-4-6-16(14)21-17(22)12-9-13-7-10-15(11-8-13)23-18(19)20/h3-12,18H,2H2,1H3,(H,21,22)/b12-9+.
What are the key properties of (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide?
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide has a molecular weight of 317.34 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 7923768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).