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

C17H15F2NO3 — CID 17419491

IUPAC(E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cc(F)ccc2F)cc(OC)c1
InChIInChI=1S/C17H15F2NO3/c1-22-13-7-11(8-14(10-13)23-2)3-6-17(21)20-16-9-12(18)4-5-15(16)19/h3-10H,1-2H3,(H,20,21)/b6-3+
InChIKeyDEDYNWJSSHAAEG-ZZXKWVIFSA-N
MW319.31 g/mol
LogP3.63
Rot. Bonds5

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

(E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 17419491) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is (E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
PubChem CID17419491
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Name(E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cc(F)ccc2F)cc(OC)c1
InChIInChI=1S/C17H15F2NO3/c1-22-13-7-11(8-14(10-13)23-2)3-6-17(21)20-16-9-12(18)4-5-15(16)19/h3-10H,1-2H3,(H,20,21)/b6-3+
InChIKeyDEDYNWJSSHAAEG-ZZXKWVIFSA-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)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 9072399
(E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide
CID 28560857
(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2678857
(E)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26692900
N-[5-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 55776961
(E)-3-(3,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 26688134
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 26274205
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide
CID 94760327
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide (CID 17419491) is (E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cc(F)ccc2F)cc(OC)c1.
What is the InChIKey of (E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is DEDYNWJSSHAAEG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H15F2NO3/c1-22-13-7-11(8-14(10-13)23-2)3-6-17(21)20-16-9-12(18)4-5-15(16)19/h3-10H,1-2H3,(H,20,21)/b6-3+.
What are the key properties of (E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide?
(E)-N-(2,5-difluorophenyl)-3-(3,5-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-(3,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 17419491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).