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

C19H16FN3O — CID 95279011

IUPAC(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H16FN3O/c20-17-6-1-15(2-7-17)5-10-19(24)22-13-16-3-8-18(9-4-16)23-12-11-21-14-23/h1-12,14H,13H2,(H,22,24)/b10-5+
InChIKeyFNFUIKPEUZYIOX-BJMVGYQFSA-N
MW321.36 g/mol
LogP3.34
Rot. Bonds5

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

(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide (PubChem CID 95279011) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
PubChem CID95279011
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H16FN3O/c20-17-6-1-15(2-7-17)5-10-19(24)22-13-16-3-8-18(9-4-16)23-12-11-21-14-23/h1-12,14H,13H2,(H,22,24)/b10-5+
InChIKeyFNFUIKPEUZYIOX-BJMVGYQFSA-N
XLogP3.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92675033
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 92646919
(E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide
CID 41200443
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
N-[(1-hydroxycyclobutyl)methyl]-3-(4-imidazol-1-ylphenyl)prop-2-enamide
CID 111539599
4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 17171986
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
3-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 4961802
3-(2-butan-2-yloxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 72688336
2-(4-fluorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 132760959
N-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 5049384
(E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide
CID 154858203

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide (CID 95279011) is (E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide?
The InChIKey is FNFUIKPEUZYIOX-BJMVGYQFSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-17-6-1-15(2-7-17)5-10-19(24)22-13-16-3-8-18(9-4-16)23-12-11-21-14-23/h1-12,14H,13H2,(H,22,24)/b10-5+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide has a molecular weight of 321.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 95279011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).