(E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide

C21H20FN3O3 — CID 86998719

IUPAC(E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(OCc3nccn3C)cc2)cc1F
InChIInChI=1S/C21H20FN3O3/c1-25-12-11-23-20(25)14-28-17-7-5-16(6-8-17)24-21(26)10-4-15-3-9-19(27-2)18(22)13-15/h3-13H,14H2,1-2H3,(H,24,26)/b10-4+
InChIKeyIPXYTMXYTQLFBQ-ONNFQVAWSA-N
MW381.41 g/mol
LogP3.80
Rot. Bonds7

About (E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide

(E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide (PubChem CID 86998719) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is (E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide
PubChem CID86998719
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(OCc3nccn3C)cc2)cc1F
InChIInChI=1S/C21H20FN3O3/c1-25-12-11-23-20(25)14-28-17-7-5-16(6-8-17)24-21(26)10-4-15-3-9-19(27-2)18(22)13-15/h3-13H,14H2,1-2H3,(H,24,26)/b10-4+
InChIKeyIPXYTMXYTQLFBQ-ONNFQVAWSA-N
XLogP3.80
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 98867836
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-en-1-one
CID 52658504
(E)-3-(6-methoxynaphthalen-2-yl)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-en-1-one
CID 52658522
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2788614
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 166198744
(E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 47085701
3-(3-fluoro-4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 73423480
(E)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-naphthalen-2-ylprop-2-en-1-one
CID 52658518
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoate
CID 9001183
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
3-(3-ethoxy-4-methoxyphenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)prop-2-enamide
CID 55983180
(E)-N-(1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 9042657

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide (CID 86998719) is (E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(OCc3nccn3C)cc2)cc1F.
What is the InChIKey of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide?
The InChIKey is IPXYTMXYTQLFBQ-ONNFQVAWSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-25-12-11-23-20(25)14-28-17-7-5-16(6-8-17)24-21(26)10-4-15-3-9-19(27-2)18(22)13-15/h3-13H,14H2,1-2H3,(H,24,26)/b10-4+.
What are the key properties of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide?
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide has a molecular weight of 381.41 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 86998719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).