2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide

C19H16ClNO4 — CID 11947971

IUPAC2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide
SMILESCNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
InChIInChI=1S/C19H16ClNO4/c1-21-18(22)8-13-9-19(23)25-17-10-15(5-6-16(13)17)24-11-12-3-2-4-14(20)7-12/h2-7,9-10H,8,11H2,1H3,(H,21,22)
InChIKeySQDHAAAUCSVUIM-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.31
Rot. Bonds5

About 2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide

2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide (PubChem CID 11947971) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide
PubChem CID11947971
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide
SMILESCNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
InChIInChI=1S/C19H16ClNO4/c1-21-18(22)8-13-9-19(23)25-17-10-15(5-6-16(13)17)24-11-12-3-2-4-14(20)7-12/h2-7,9-10H,8,11H2,1H3,(H,21,22)
InChIKeySQDHAAAUCSVUIM-UHFFFAOYSA-N
XLogP3.31
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide?
The IUPAC name of 2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide (CID 11947971) is 2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide is CNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12.
What is the InChIKey of 2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide?
The InChIKey is SQDHAAAUCSVUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-21-18(22)8-13-9-19(23)25-17-10-15(5-6-16(13)17)24-11-12-3-2-4-14(20)7-12/h2-7,9-10H,8,11H2,1H3,(H,21,22).
What are the key properties of 2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide?
2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide has a molecular weight of 357.79 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]-N-methylacetamide is sourced from PubChem (CID 11947971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).