2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide

C15H16ClNO4 — CID 4823145

IUPAC2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
SMILESCCCNC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl
InChIInChI=1S/C15H16ClNO4/c1-3-4-17-14(18)8-20-13-7-12-10(6-11(13)16)9(2)5-15(19)21-12/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyFGEMAWCWNUHXES-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.66
Rot. Bonds5

About 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide (PubChem CID 4823145) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
PubChem CID4823145
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
SMILESCCCNC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl
InChIInChI=1S/C15H16ClNO4/c1-3-4-17-14(18)8-20-13-7-12-10(6-11(13)16)9(2)5-15(19)21-12/h5-7H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyFGEMAWCWNUHXES-UHFFFAOYSA-N
XLogP2.66
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.66
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

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide
CID 4793959
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
CID 4823481
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 41350294
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4823564
ethyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 782904
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide
CID 4823286
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4907021
N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7953931
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2-chloro-4-methylphenyl)acetamide
CID 4823620
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(1-phenylbutyl)acetamide
CID 55366055
2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide
CID 4901940

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide?
The IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide (CID 4823145) is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide.
What is the SMILES notation for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide?
The canonical SMILES for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide is CCCNC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl.
What is the InChIKey of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide?
The InChIKey is FGEMAWCWNUHXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4/c1-3-4-17-14(18)8-20-13-7-12-10(6-11(13)16)9(2)5-15(19)21-12/h5-7H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide?
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide has a molecular weight of 309.75 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide is sourced from PubChem (CID 4823145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).