N-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide

C18H16ClNO3 — CID 135373952

IUPACN-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCOc2cc(Oc3cccc(Cl)c3)ccc21
InChIInChI=1S/C18H16ClNO3/c1-2-18(21)20-16-8-9-22-17-11-14(6-7-15(16)17)23-13-5-3-4-12(19)10-13/h2-7,10-11,16H,1,8-9H2,(H,20,21)
InChIKeyWBETXFZWTGFZGV-UHFFFAOYSA-N
MW329.78 g/mol
LogP4.26
Rot. Bonds4

About N-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide

N-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide (PubChem CID 135373952) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is N-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide
PubChem CID135373952
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC NameN-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCOc2cc(Oc3cccc(Cl)c3)ccc21
InChIInChI=1S/C18H16ClNO3/c1-2-18(21)20-16-8-9-22-17-11-14(6-7-15(16)17)23-13-5-3-4-12(19)10-13/h2-7,10-11,16H,1,8-9H2,(H,20,21)
InChIKeyWBETXFZWTGFZGV-UHFFFAOYSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 54.26
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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Frequently Asked Questions

What is the IUPAC name of N-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide?
The IUPAC name of N-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide (CID 135373952) is N-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide.
What is the SMILES notation for N-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide?
The canonical SMILES for N-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide is C=CC(=O)NC1CCOc2cc(Oc3cccc(Cl)c3)ccc21.
What is the InChIKey of N-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide?
The InChIKey is WBETXFZWTGFZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-2-18(21)20-16-8-9-22-17-11-14(6-7-15(16)17)23-13-5-3-4-12(19)10-13/h2-7,10-11,16H,1,8-9H2,(H,20,21).
What are the key properties of N-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide?
N-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide has a molecular weight of 329.78 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-chlorophenoxy)-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide is sourced from PubChem (CID 135373952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).