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

C16H14F2N2O2 — CID 8895534

IUPAC(E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1)NCc1ccccn1
InChIInChI=1S/C16H14F2N2O2/c17-16(18)22-14-7-4-12(5-8-14)6-9-15(21)20-11-13-3-1-2-10-19-13/h1-10,16H,11H2,(H,20,21)/b9-6+
InChIKeyVKONCEHGRNVCGA-RMKNXTFCSA-N
MW304.30 g/mol
LogP3.01
Rot. Bonds6

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

(E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 8895534) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is (E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID8895534
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name(E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1)NCc1ccccn1
InChIInChI=1S/C16H14F2N2O2/c17-16(18)22-14-7-4-12(5-8-14)6-9-15(21)20-11-13-3-1-2-10-19-13/h1-10,16H,11H2,(H,20,21)/b9-6+
InChIKeyVKONCEHGRNVCGA-RMKNXTFCSA-N
XLogP3.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 886894
3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 2929509
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 18075413
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7916746
(E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 30878649
(E)-3-(3-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 39366180
3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 3932279
(E)-N-(pyridin-2-ylmethyl)but-2-enamide
CID 110459675
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 26189419
(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 9414496
(E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 39572660
N-(pyridin-2-ylmethyl)hexa-2,4-dienamide
CID 76860381

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 8895534) is (E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccc(OC(F)F)cc1)NCc1ccccn1.
What is the InChIKey of (E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is VKONCEHGRNVCGA-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c17-16(18)22-14-7-4-12(5-8-14)6-9-15(21)20-11-13-3-1-2-10-19-13/h1-10,16H,11H2,(H,20,21)/b9-6+.
What are the key properties of (E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
(E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 304.30 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 8895534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).