(E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide

C16H13F2NO2 — CID 7770255

IUPAC(E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H13F2NO2/c1-21-13-6-2-11(3-7-13)4-9-16(20)19-15-10-12(17)5-8-14(15)18/h2-10H,1H3,(H,19,20)/b9-4+
InChIKeyXZKPBZIKMAVBEK-RUDMXATFSA-N
MW289.28 g/mol
LogP3.63
Rot. Bonds4

About (E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 7770255) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is (E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID7770255
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name(E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H13F2NO2/c1-21-13-6-2-11(3-7-13)4-9-16(20)19-15-10-12(17)5-8-14(15)18/h2-10H,1H3,(H,19,20)/b9-4+
InChIKeyXZKPBZIKMAVBEK-RUDMXATFSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.63
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-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 17419491
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 7769944
(E)-N-(2-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26522932
N-(2-bromo-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 76943432
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 60576782
(E)-N-(2,5-difluorophenyl)-3-(2,6-dimethoxyphenyl)prop-2-enamide
CID 28560857
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3744074
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 7770255) is (E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cc(F)ccc2F)cc1.
What is the InChIKey of (E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is XZKPBZIKMAVBEK-RUDMXATFSA-N. The full InChI is InChI=1S/C16H13F2NO2/c1-21-13-6-2-11(3-7-13)4-9-16(20)19-15-10-12(17)5-8-14(15)18/h2-10H,1H3,(H,19,20)/b9-4+.
What are the key properties of (E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 289.28 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7770255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).