2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide

C24H24ClNO4 — CID 46303284

IUPAC2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide
SMILESCC(Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O)C(=O)NC1CCCCC1
InChIInChI=1S/C24H24ClNO4/c1-15(24(28)26-18-7-3-2-4-8-18)29-23-21(27)19-9-5-6-10-20(19)30-22(23)16-11-13-17(25)14-12-16/h5-6,9-15,18H,2-4,7-8H2,1H3,(H,26,28)
InChIKeyDBUKMMWMCXECLM-UHFFFAOYSA-N
MW425.91 g/mol
LogP5.33
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide

2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide (PubChem CID 46303284) has the molecular formula C24H24ClNO4 and a molecular weight of 425.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide
PubChem CID46303284
Molecular FormulaC24H24ClNO4
Molecular Weight425.91 g/mol
Exact Mass425.14
IUPAC Name2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide
SMILESCC(Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O)C(=O)NC1CCCCC1
InChIInChI=1S/C24H24ClNO4/c1-15(24(28)26-18-7-3-2-4-8-18)29-23-21(27)19-9-5-6-10-20(19)30-22(23)16-11-13-17(25)14-12-16/h5-6,9-15,18H,2-4,7-8H2,1H3,(H,26,28)
InChIKeyDBUKMMWMCXECLM-UHFFFAOYSA-N
XLogP5.33
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.91
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide
CID 46303054
2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 3316849
(2S)-2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 7747088
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxypropanamide
CID 46303338
2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide
CID 21000537
(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-cyclopentylpropanamide
CID 8021445
3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one
CID 46303321
(2S)-2-(2-chloro-4-phenylphenoxy)-N-cyclopentylpropanamide
CID 7652970
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 2630507
methyl 2-[2-(4-oxo-2-phenylchromen-3-yl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 46303022
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide (CID 46303284) is 2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide is CC(Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide?
The InChIKey is DBUKMMWMCXECLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO4/c1-15(24(28)26-18-7-3-2-4-8-18)29-23-21(27)19-9-5-6-10-20(19)30-22(23)16-11-13-17(25)14-12-16/h5-6,9-15,18H,2-4,7-8H2,1H3,(H,26,28).
What are the key properties of 2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide?
2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide has a molecular weight of 425.91 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide is sourced from PubChem (CID 46303284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).