(E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide

C15H11ClF2N2O2 — CID 33327740

IUPAC(E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H11ClF2N2O2/c16-11-4-7-13(19-9-11)20-14(21)8-3-10-1-5-12(6-2-10)22-15(17)18/h1-9,15H,(H,19,20,21)/b8-3+
InChIKeyWLWAPVAAVDAZES-FPYGCLRLSA-N
MW324.71 g/mol
LogP3.99
Rot. Bonds5

About (E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide

(E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide (PubChem CID 33327740) has the molecular formula C15H11ClF2N2O2 and a molecular weight of 324.71 g/mol. Its IUPAC name is (E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
PubChem CID33327740
Molecular FormulaC15H11ClF2N2O2
Molecular Weight324.71 g/mol
Exact Mass324.05
IUPAC Name(E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H11ClF2N2O2/c16-11-4-7-13(19-9-11)20-14(21)8-3-10-1-5-12(6-2-10)22-15(17)18/h1-9,15H,(H,19,20,21)/b8-3+
InChIKeyWLWAPVAAVDAZES-FPYGCLRLSA-N
XLogP3.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 53.99
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

[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7996781
(E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 33327682
(E)-N-(5-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 8759050
N-(5-chloro-2-pyridinyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 34136582
(E)-N-(4-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 2477751
(E)-N-(4-chloro-2-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7914580
N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 800746
(E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide
CID 2318357
3-[4-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 3932279
(E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807662
N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 3916124
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2,6-dimethylphenyl)prop-2-enamide
CID 8502468

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide (CID 33327740) is (E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(Cl)cn1.
What is the InChIKey of (E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is WLWAPVAAVDAZES-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H11ClF2N2O2/c16-11-4-7-13(19-9-11)20-14(21)8-3-10-1-5-12(6-2-10)22-15(17)18/h1-9,15H,(H,19,20,21)/b8-3+.
What are the key properties of (E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
(E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 324.71 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 33327740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).