2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide

C21H21BrCl2N2O3 — CID 17095359

IUPAC2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide
SMILESO=C(COc1c(Cl)cc(Cl)cc1Br)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C21H21BrCl2N2O3/c22-16-10-13(23)11-17(24)20(16)29-12-19(27)26-18-9-5-4-8-15(18)21(28)25-14-6-2-1-3-7-14/h4-5,8-11,14H,1-3,6-7,12H2,(H,25,28)(H,26,27)
InChIKeyIHFRQNVYURWGBH-UHFFFAOYSA-N
MW500.22 g/mol
LogP5.84
Rot. Bonds6

About 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide

2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 17095359) has the molecular formula C21H21BrCl2N2O3 and a molecular weight of 500.22 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide
PubChem CID17095359
Molecular FormulaC21H21BrCl2N2O3
Molecular Weight500.22 g/mol
Exact Mass498.01
IUPAC Name2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide
SMILESO=C(COc1c(Cl)cc(Cl)cc1Br)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C21H21BrCl2N2O3/c22-16-10-13(23)11-17(24)20(16)29-12-19(27)26-18-9-5-4-8-15(18)21(28)25-14-6-2-1-3-7-14/h4-5,8-11,14H,1-3,6-7,12H2,(H,25,28)(H,26,27)
InChIKeyIHFRQNVYURWGBH-UHFFFAOYSA-N
XLogP5.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.22
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41208350
N-cyclopropyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 7729391
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 17095373
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 16539773
N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide
CID 100606317
N-cyclohexyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 1226844
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-amino-5-bromobenzoate
CID 24557017
2-[[2-(3-bromophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 100698638
2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 17188450
N-cyclopropyl-2-[[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 16610686
N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 26084463
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 40813966

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide (CID 17095359) is 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide is O=C(COc1c(Cl)cc(Cl)cc1Br)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is IHFRQNVYURWGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrCl2N2O3/c22-16-10-13(23)11-17(24)20(16)29-12-19(27)26-18-9-5-4-8-15(18)21(28)25-14-6-2-1-3-7-14/h4-5,8-11,14H,1-3,6-7,12H2,(H,25,28)(H,26,27).
What are the key properties of 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide?
2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide has a molecular weight of 500.22 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 17095359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).