N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide

C20H17Cl2NO4 — CID 7953931

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(C)c(NC(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2NO4/c1-10-4-12(3)20(15(22)5-10)23-18(24)9-26-17-8-16-13(7-14(17)21)11(2)6-19(25)27-16/h4-8H,9H2,1-3H3,(H,23,24)
InChIKeyPAMSCZZXTHIOSZ-UHFFFAOYSA-N
MW406.27 g/mol
LogP5.04
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 7953931) has the molecular formula C20H17Cl2NO4 and a molecular weight of 406.27 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID7953931
Molecular FormulaC20H17Cl2NO4
Molecular Weight406.27 g/mol
Exact Mass405.05
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(C)c(NC(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2NO4/c1-10-4-12(3)20(15(22)5-10)23-18(24)9-26-17-8-16-13(7-14(17)21)11(2)6-19(25)27-16/h4-8H,9H2,1-3H3,(H,23,24)
InChIKeyPAMSCZZXTHIOSZ-UHFFFAOYSA-N
XLogP5.04
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.27
LogP ≤ 55.04
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-(2-chloro-4-methylphenyl)acetamide
CID 4823620
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 41350251
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
CID 4823145
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7954004
methyl 2-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate
CID 7954005
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-(4-piperidin-1-ylphenyl)acetamide
CID 4823857
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide
CID 4793959
ethyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 782904
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
7-chloro-4-methyl-6-(2-oxopropoxy)chromen-2-one
CID 673994

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 7953931) is N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(C)c(NC(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is PAMSCZZXTHIOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO4/c1-10-4-12(3)20(15(22)5-10)23-18(24)9-26-17-8-16-13(7-14(17)21)11(2)6-19(25)27-16/h4-8H,9H2,1-3H3,(H,23,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 406.27 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 7953931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).