2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C22H20ClNO4 — CID 7468906

IUPAC2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N[C@H]3CCCc4ccccc43)c(Cl)cc12
InChIInChI=1S/C22H20ClNO4/c1-13-9-22(26)28-19-11-20(17(23)10-16(13)19)27-12-21(25)24-18-8-4-6-14-5-2-3-7-15(14)18/h2-3,5,7,9-11,18H,4,6,8,12H2,1H3,(H,24,25)/t18-/m0/s1
InChIKeyPLUUVAFDNFEJCX-SFHVURJKSA-N
MW397.86 g/mol
LogP4.33
Rot. Bonds4

About 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 7468906) has the molecular formula C22H20ClNO4 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID7468906
Molecular FormulaC22H20ClNO4
Molecular Weight397.86 g/mol
Exact Mass397.11
IUPAC Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N[C@H]3CCCc4ccccc43)c(Cl)cc12
InChIInChI=1S/C22H20ClNO4/c1-13-9-22(26)28-19-11-20(17(23)10-16(13)19)27-12-21(25)24-18-8-4-6-14-5-2-3-7-15(14)18/h2-3,5,7,9-11,18H,4,6,8,12H2,1H3,(H,24,25)/t18-/m0/s1
InChIKeyPLUUVAFDNFEJCX-SFHVURJKSA-N
XLogP4.33
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.33
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-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919810
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 2570970
2-(2,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709177
2-(2-methylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16545520
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919669
2-(2-methoxy-4-methylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2636502
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
2-[2-chloro-4-(propylsulfamoyl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28556053
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779317
2-(3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2554404
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
CID 4823145
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97489059

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 7468906) is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1cc(=O)oc2cc(OCC(=O)N[C@H]3CCCc4ccccc43)c(Cl)cc12.
What is the InChIKey of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is PLUUVAFDNFEJCX-SFHVURJKSA-N. The full InChI is InChI=1S/C22H20ClNO4/c1-13-9-22(26)28-19-11-20(17(23)10-16(13)19)27-12-21(25)24-18-8-4-6-14-5-2-3-7-15(14)18/h2-3,5,7,9-11,18H,4,6,8,12H2,1H3,(H,24,25)/t18-/m0/s1.
What are the key properties of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 397.86 g/mol, XLogP of 4.33, 4 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-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 7468906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).