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

C19H14FNO3 — CID 2675778

IUPAC(E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
SMILESCc1cc(=O)oc2cc(NC(=O)/C=C/c3cccc(F)c3)ccc12
InChIInChI=1S/C19H14FNO3/c1-12-9-19(23)24-17-11-15(6-7-16(12)17)21-18(22)8-5-13-3-2-4-14(20)10-13/h2-11H,1H3,(H,21,22)/b8-5+
InChIKeyZMRVAQZEEHVLMS-VMPITWQZSA-N
MW323.32 g/mol
LogP3.89
Rot. Bonds3

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

(E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide (PubChem CID 2675778) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
PubChem CID2675778
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name(E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
SMILESCc1cc(=O)oc2cc(NC(=O)/C=C/c3cccc(F)c3)ccc12
InChIInChI=1S/C19H14FNO3/c1-12-9-19(23)24-17-11-15(6-7-16(12)17)21-18(22)8-5-13-3-2-4-14(20)10-13/h2-11H,1H3,(H,21,22)/b8-5+
InChIKeyZMRVAQZEEHVLMS-VMPITWQZSA-N
XLogP3.89
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide (CID 2675778) is (E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide is Cc1cc(=O)oc2cc(NC(=O)/C=C/c3cccc(F)c3)ccc12.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide?
The InChIKey is ZMRVAQZEEHVLMS-VMPITWQZSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-12-9-19(23)24-17-11-15(6-7-16(12)17)21-18(22)8-5-13-3-2-4-14(20)10-13/h2-11H,1H3,(H,21,22)/b8-5+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide has a molecular weight of 323.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide is sourced from PubChem (CID 2675778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).