2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide

C22H23Br2ClN2O3 — CID 17188450

IUPAC2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H23Br2ClN2O3/c1-13-9-14(23)10-18(24)21(13)30-12-20(28)26-16-7-8-19(25)17(11-16)22(29)27-15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3,(H,26,28)(H,27,29)
InChIKeyDNAOWZGIKHQLQP-UHFFFAOYSA-N
MW558.70 g/mol
LogP6.25
Rot. Bonds6

About 2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide (PubChem CID 17188450) has the molecular formula C22H23Br2ClN2O3 and a molecular weight of 558.70 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
PubChem CID17188450
Molecular FormulaC22H23Br2ClN2O3
Molecular Weight558.70 g/mol
Exact Mass555.98
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H23Br2ClN2O3/c1-13-9-14(23)10-18(24)21(13)30-12-20(28)26-16-7-8-19(25)17(11-16)22(29)27-15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3,(H,26,28)(H,27,29)
InChIKeyDNAOWZGIKHQLQP-UHFFFAOYSA-N
XLogP6.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.70
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17188384
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 17188486
2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
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-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504142
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54833298

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide (CID 17188450) is 2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide is Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide?
The InChIKey is DNAOWZGIKHQLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Br2ClN2O3/c1-13-9-14(23)10-18(24)21(13)30-12-20(28)26-16-7-8-19(25)17(11-16)22(29)27-15-5-3-2-4-6-15/h7-11,15H,2-6,12H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide has a molecular weight of 558.70 g/mol, XLogP of 6.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17188450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).