2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide

C23H26Cl2N2O3 — CID 17188384

IUPAC2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
SMILESCc1cc(OCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc(C)c1Cl
InChIInChI=1S/C23H26Cl2N2O3/c1-14-10-18(11-15(2)22(14)25)30-13-21(28)26-17-8-9-20(24)19(12-17)23(29)27-16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyVEGJZLDHZYWDNA-UHFFFAOYSA-N
MW449.38 g/mol
LogP5.69
Rot. Bonds6

About 2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide

2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 17188384) has the molecular formula C23H26Cl2N2O3 and a molecular weight of 449.38 g/mol. Its IUPAC name is 2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
PubChem CID17188384
Molecular FormulaC23H26Cl2N2O3
Molecular Weight449.38 g/mol
Exact Mass448.13
IUPAC Name2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
SMILESCc1cc(OCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc(C)c1Cl
InChIInChI=1S/C23H26Cl2N2O3/c1-14-10-18(11-15(2)22(14)25)30-13-21(28)26-17-8-9-20(24)19(12-17)23(29)27-16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyVEGJZLDHZYWDNA-UHFFFAOYSA-N
XLogP5.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.38
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 17188486
2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 17188450
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54833298
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
CID 1048171
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide (CID 17188384) is 2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide is Cc1cc(OCC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)cc(C)c1Cl.
What is the InChIKey of 2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is VEGJZLDHZYWDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O3/c1-14-10-18(11-15(2)22(14)25)30-13-21(28)26-17-8-9-20(24)19(12-17)23(29)27-16-6-4-3-5-7-16/h8-12,16H,3-7,13H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide?
2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide has a molecular weight of 449.38 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 17188384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).