(E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide

C20H16FN3O2 — CID 43027710

IUPAC(E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C20H16FN3O2/c1-24-13-12-22-20(24)19(26)15-5-9-17(10-6-15)23-18(25)11-4-14-2-7-16(21)8-3-14/h2-13H,1H3,(H,23,25)/b11-4+
InChIKeyXBDIONXGHSRYMU-NYYWCZLTSA-N
MW349.37 g/mol
LogP3.44
Rot. Bonds5

About (E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide (PubChem CID 43027710) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide
PubChem CID43027710
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name(E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C20H16FN3O2/c1-24-13-12-22-20(24)19(26)15-5-9-17(10-6-15)23-18(25)11-4-14-2-7-16(21)8-3-14/h2-13H,1H3,(H,23,25)/b11-4+
InChIKeyXBDIONXGHSRYMU-NYYWCZLTSA-N
XLogP3.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.44
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-(2,5-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide
CID 51187645
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 7729326
N-methyl-4-[(E)-3-[4-(1-methylimidazol-2-yl)sulfanylanilino]-3-oxoprop-1-enyl]benzamide
CID 134003335
3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 51187656
2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 39951792
6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 18149133
(E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide
CID 47051327
4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18206147
(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
CID 103789430
(E)-3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 38175849
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide (CID 43027710) is (E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide is Cn1ccnc1C(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide?
The InChIKey is XBDIONXGHSRYMU-NYYWCZLTSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-24-13-12-22-20(24)19(26)15-5-9-17(10-6-15)23-18(25)11-4-14-2-7-16(21)8-3-14/h2-13H,1H3,(H,23,25)/b11-4+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide has a molecular weight of 349.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 43027710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).