N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide

C18H14ClNO4 — CID 930250

IUPACN-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
SMILESCc1cc(=O)oc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc12
InChIInChI=1S/C18H14ClNO4/c1-11-7-18(22)24-16-6-5-14(9-15(11)16)23-10-17(21)20-13-4-2-3-12(19)8-13/h2-9H,10H2,1H3,(H,20,21)
InChIKeyZOARSEFPNMJLMY-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.77
Rot. Bonds4

About N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide

N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide (PubChem CID 930250) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
PubChem CID930250
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC NameN-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
SMILESCc1cc(=O)oc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc12
InChIInChI=1S/C18H14ClNO4/c1-11-7-18(22)24-16-6-5-14(9-15(11)16)23-10-17(21)20-13-4-2-3-12(19)8-13/h2-9H,10H2,1H3,(H,20,21)
InChIKeyZOARSEFPNMJLMY-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-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
CID 906216
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2098370
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate
CID 1329212
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844029
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 26000046
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
N-(3-chlorophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652748
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3930215

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide (CID 930250) is N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide is Cc1cc(=O)oc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc12.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide?
The InChIKey is ZOARSEFPNMJLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-11-7-18(22)24-16-6-5-14(9-15(11)16)23-10-17(21)20-13-4-2-3-12(19)8-13/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide?
N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide 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 N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide is sourced from PubChem (CID 930250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).