N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide

C27H22ClNO5 — CID 1413371

IUPACN-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)COc2c(-c3ccccc3Cl)oc3cc(C)cc(C)c3c2=O)cc1
InChIInChI=1S/C27H22ClNO5/c1-15-12-16(2)24-23(13-15)34-26(20-6-4-5-7-21(20)28)27(25(24)32)33-14-22(31)18-8-10-19(11-9-18)29-17(3)30/h4-13H,14H2,1-3H3,(H,29,30)
InChIKeyHWFNNPXHZRGUDT-UHFFFAOYSA-N
MW475.93 g/mol
LogP5.95
Rot. Bonds6

About N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide

N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide (PubChem CID 1413371) has the molecular formula C27H22ClNO5 and a molecular weight of 475.93 g/mol. Its IUPAC name is N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide
PubChem CID1413371
Molecular FormulaC27H22ClNO5
Molecular Weight475.93 g/mol
Exact Mass475.12
IUPAC NameN-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)COc2c(-c3ccccc3Cl)oc3cc(C)cc(C)c3c2=O)cc1
InChIInChI=1S/C27H22ClNO5/c1-15-12-16(2)24-23(13-15)34-26(20-6-4-5-7-21(20)28)27(25(24)32)33-14-22(31)18-8-10-19(11-9-18)29-17(3)30/h4-13H,14H2,1-3H3,(H,29,30)
InChIKeyHWFNNPXHZRGUDT-UHFFFAOYSA-N
XLogP5.95
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.93
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 1413366
methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 1413359
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 1413369
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide
CID 20999683
5,7-dimethyl-2-(4-methylphenyl)-3-(2-oxopropoxy)chromen-4-one
CID 1413433
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 7742654
ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742658
5,7-dimethyl-2-(4-methylphenyl)-3-(2-oxo-2-thiophen-2-ylethoxy)chromen-4-one
CID 1413434
N-[4-[2-(3-methylphenoxy)acetyl]phenyl]acetamide
CID 167959701
N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 1413410
2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 1413457
N-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]acetamide
CID 51139075

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide (CID 1413371) is N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)COc2c(-c3ccccc3Cl)oc3cc(C)cc(C)c3c2=O)cc1.
What is the InChIKey of N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide?
The InChIKey is HWFNNPXHZRGUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClNO5/c1-15-12-16(2)24-23(13-15)34-26(20-6-4-5-7-21(20)28)27(25(24)32)33-14-22(31)18-8-10-19(11-9-18)29-17(3)30/h4-13H,14H2,1-3H3,(H,29,30).
What are the key properties of N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide?
N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide has a molecular weight of 475.93 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide is sourced from PubChem (CID 1413371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).