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

C16H13F2NO2 — CID 2678857

IUPAC(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C16H13F2NO2/c1-21-13-4-2-3-11(9-13)5-8-16(20)19-15-7-6-12(17)10-14(15)18/h2-10H,1H3,(H,19,20)/b8-5+
InChIKeyIRBDCCRGESGOKG-VMPITWQZSA-N
MW289.28 g/mol
LogP3.63
Rot. Bonds4

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

(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 2678857) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is (E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID2678857
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C16H13F2NO2/c1-21-13-4-2-3-11(9-13)5-8-16(20)19-15-7-6-12(17)10-14(15)18/h2-10H,1H3,(H,19,20)/b8-5+
InChIKeyIRBDCCRGESGOKG-VMPITWQZSA-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-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
(E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867858
(E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 17419491
(E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 16572166
(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148193
N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4023340
(E)-N-(2,4-difluorophenyl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 16591141
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 60576782
(E)-3-(3-aminophenyl)-N-(4-fluoro-2-methoxyphenyl)prop-2-enamide
CID 115343780
(E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 7770255
(E)-N-(2-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26522932
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 3560638

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide (CID 2678857) is (E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of (E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is IRBDCCRGESGOKG-VMPITWQZSA-N. The full InChI is InChI=1S/C16H13F2NO2/c1-21-13-4-2-3-11(9-13)5-8-16(20)19-15-7-6-12(17)10-14(15)18/h2-10H,1H3,(H,19,20)/b8-5+.
What are the key properties of (E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-(2,4-difluorophenyl)-3-(3-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-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2678857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).