(E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide

C20H18FN3O2 — CID 60584791

IUPAC(E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C20H18FN3O2/c1-26-19-5-3-2-4-16(19)7-9-20(25)23-13-15-6-8-18(17(21)12-15)24-11-10-22-14-24/h2-12,14H,13H2,1H3,(H,23,25)/b9-7+
InChIKeyBNDZWEPAKQZUMX-VQHVLOKHSA-N
MW351.38 g/mol
LogP3.35
Rot. Bonds6

About (E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 60584791) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is (E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID60584791
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name(E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C20H18FN3O2/c1-26-19-5-3-2-4-16(19)7-9-20(25)23-13-15-6-8-18(17(21)12-15)24-11-10-22-14-24/h2-12,14H,13H2,1H3,(H,23,25)/b9-7+
InChIKeyBNDZWEPAKQZUMX-VQHVLOKHSA-N
XLogP3.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,4-dimethoxyphenyl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 60585064
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 71885790
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4797449
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 46524786
3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 72688336
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133247
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133246
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 47799498
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide
CID 136527948
3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
CID 166194769

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 60584791) is (E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)NCc1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of (E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is BNDZWEPAKQZUMX-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-26-19-5-3-2-4-16(19)7-9-20(25)23-13-15-6-8-18(17(21)12-15)24-11-10-22-14-24/h2-12,14H,13H2,1H3,(H,23,25)/b9-7+.
What are the key properties of (E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 351.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 60584791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).