(E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide

C17H15F2NO3 — CID 28560857

IUPAC(E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(OC)c1/C=C/C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C17H15F2NO3/c1-22-15-4-3-5-16(23-2)12(15)7-9-17(21)20-14-10-11(18)6-8-13(14)19/h3-10H,1-2H3,(H,20,21)/b9-7+
InChIKeyPODBMDZVJSENMR-VQHVLOKHSA-N
MW319.31 g/mol
LogP3.63
Rot. Bonds5

About (E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide

(E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide (PubChem CID 28560857) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is (E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide
PubChem CID28560857
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name(E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(OC)c1/C=C/C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C17H15F2NO3/c1-22-15-4-3-5-16(23-2)12(15)7-9-17(21)20-14-10-11(18)6-8-13(14)19/h3-10H,1-2H3,(H,20,21)/b9-7+
InChIKeyPODBMDZVJSENMR-VQHVLOKHSA-N
XLogP3.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.63
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)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 7770255
(E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 17419491
3-(2,6-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 963632
N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4023340
(E)-3-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 126241968
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39387255
(E)-3-(3-aminophenyl)-N-(4-fluoro-2-methoxyphenyl)prop-2-enamide
CID 115343780
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2678857
3-(2,6-dimethoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 963710
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide
CID 94760327
(E)-N-(2,4-difluorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126413661

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide (CID 28560857) is (E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide is COc1cccc(OC)c1/C=C/C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of (E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide?
The InChIKey is PODBMDZVJSENMR-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H15F2NO3/c1-22-15-4-3-5-16(23-2)12(15)7-9-17(21)20-14-10-11(18)6-8-13(14)19/h3-10H,1-2H3,(H,20,21)/b9-7+.
What are the key properties of (E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide?
(E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide has a molecular weight of 319.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 28560857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).