2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide

C18H14ClNO4 — CID 2675768

IUPAC2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)COc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C18H14ClNO4/c1-11-8-18(22)24-16-9-13(4-7-15(11)16)20-17(21)10-23-14-5-2-12(19)3-6-14/h2-9H,10H2,1H3,(H,20,21)
InChIKeyDJJAGUZTXZHDMH-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.77
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide

2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide (PubChem CID 2675768) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
PubChem CID2675768
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)COc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C18H14ClNO4/c1-11-8-18(22)24-16-9-13(4-7-15(11)16)20-17(21)10-23-14-5-2-12(19)3-6-14/h2-9H,10H2,1H3,(H,20,21)
InChIKeyDJJAGUZTXZHDMH-UHFFFAOYSA-N
XLogP3.77
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
(4-methyl-2-oxochromen-7-yl) 2-(4-chlorophenoxy)acetate
CID 728525
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3930215
N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
CID 930250
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2098370
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412162
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2367621

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide (CID 2675768) is 2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide is Cc1cc(=O)oc2cc(NC(=O)COc3ccc(Cl)cc3)ccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The InChIKey is DJJAGUZTXZHDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-11-8-18(22)24-16-9-13(4-7-15(11)16)20-17(21)10-23-14-5-2-12(19)3-6-14/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide has a molecular weight of 343.77 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide is sourced from PubChem (CID 2675768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).