(E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide

C19H14FNO4 — CID 71653137

IUPAC(E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1coc2cc(O)ccc2c1=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H14FNO4/c20-14-4-1-12(2-5-14)10-21-18(23)8-3-13-11-25-17-9-15(22)6-7-16(17)19(13)24/h1-9,11,22H,10H2,(H,21,23)/b8-3+
InChIKeyCPNJXUMJHWPBIX-FPYGCLRLSA-N
MW339.32 g/mol
LogP2.97
Rot. Bonds4

About (E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide

(E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide (PubChem CID 71653137) has the molecular formula C19H14FNO4 and a molecular weight of 339.32 g/mol. Its IUPAC name is (E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide
PubChem CID71653137
Molecular FormulaC19H14FNO4
Molecular Weight339.32 g/mol
Exact Mass339.09
IUPAC Name(E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1coc2cc(O)ccc2c1=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H14FNO4/c20-14-4-1-12(2-5-14)10-21-18(23)8-3-13-11-25-17-9-15(22)6-7-16(17)19(13)24/h1-9,11,22H,10H2,(H,21,23)/b8-3+
InChIKeyCPNJXUMJHWPBIX-FPYGCLRLSA-N
XLogP2.97
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
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-(4-oxochromen-3-yl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 108794092
3-[[[(E)-3-(4-oxochromen-3-yl)prop-2-enoyl]amino]methyl]benzoic acid
CID 108745448
(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794102
3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 887747
(E)-N-(2-fluorophenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805868
(E)-N-(6-hydroxyhexyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805840
3-fluoro-7-hydroxychromen-4-one
CID 14948349
(E)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108737693
(E)-N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108739801
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4797449
(E)-4-[(4-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 711811
2-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]acetic acid
CID 108792937

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide (CID 71653137) is (E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide is O=C(/C=C/c1coc2cc(O)ccc2c1=O)NCc1ccc(F)cc1.
What is the InChIKey of (E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide?
The InChIKey is CPNJXUMJHWPBIX-FPYGCLRLSA-N. The full InChI is InChI=1S/C19H14FNO4/c20-14-4-1-12(2-5-14)10-21-18(23)8-3-13-11-25-17-9-15(22)6-7-16(17)19(13)24/h1-9,11,22H,10H2,(H,21,23)/b8-3+.
What are the key properties of (E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide?
(E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide has a molecular weight of 339.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-fluorophenyl)methyl]-3-(7-hydroxy-4-oxochromen-3-yl)prop-2-enamide is sourced from PubChem (CID 71653137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).