(E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide

C15H11FN2O4 — CID 84554354

IUPAC(E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H11FN2O4/c16-11-3-1-2-10(8-11)4-7-15(20)17-13-9-12(18(21)22)5-6-14(13)19/h1-9,19H,(H,17,20)/b7-4+
InChIKeyMHUXEFDGYNVWGF-QPJJXVBHSA-N
MW302.26 g/mol
LogP3.09
Rot. Bonds4

About (E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide

(E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide (PubChem CID 84554354) has the molecular formula C15H11FN2O4 and a molecular weight of 302.26 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
PubChem CID84554354
Molecular FormulaC15H11FN2O4
Molecular Weight302.26 g/mol
Exact Mass302.07
IUPAC Name(E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H11FN2O4/c16-11-3-1-2-10(8-11)4-7-15(20)17-13-9-12(18(21)22)5-6-14(13)19/h1-9,19H,(H,17,20)/b7-4+
InChIKeyMHUXEFDGYNVWGF-QPJJXVBHSA-N
XLogP3.09
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
CID 17342492
N-(2-fluoro-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4632907
(E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
CID 84552120
N-(2-hydroxy-4,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3713167
(E)-N-(2-methyl-5-nitrophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26576813
(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2165621
(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 6289668
N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 5065196
(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 51158974
4-hydroxy-3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid
CID 108730194
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 4149722

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide (CID 84554354) is (E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide is O=C(/C=C/c1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide?
The InChIKey is MHUXEFDGYNVWGF-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H11FN2O4/c16-11-3-1-2-10(8-11)4-7-15(20)17-13-9-12(18(21)22)5-6-14(13)19/h1-9,19H,(H,17,20)/b7-4+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide has a molecular weight of 302.26 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 84554354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).