2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide

C24H28Br2N2O4 — CID 1012712

IUPAC2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2ccc(C)cc2Br)c(Br)c1
InChIInChI=1S/C24H28Br2N2O4/c1-15-7-9-21(17(25)11-15)31-13-23(29)27-19-5-3-4-6-20(19)28-24(30)14-32-22-10-8-16(2)12-18(22)26/h7-12,19-20H,3-6,13-14H2,1-2H3,(H,27,29)(H,28,30)/t19-,20-/m0/s1
InChIKeyDKNGARKVASESFD-PMACEKPBSA-N
MW568.31 g/mol
LogP4.83
Rot. Bonds8

About 2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide

2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide (PubChem CID 1012712) has the molecular formula C24H28Br2N2O4 and a molecular weight of 568.31 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
PubChem CID1012712
Molecular FormulaC24H28Br2N2O4
Molecular Weight568.31 g/mol
Exact Mass566.04
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2ccc(C)cc2Br)c(Br)c1
InChIInChI=1S/C24H28Br2N2O4/c1-15-7-9-21(17(25)11-15)31-13-23(29)27-19-5-3-4-6-20(19)28-24(30)14-32-22-10-8-16(2)12-18(22)26/h7-12,19-20H,3-6,13-14H2,1-2H3,(H,27,29)(H,28,30)/t19-,20-/m0/s1
InChIKeyDKNGARKVASESFD-PMACEKPBSA-N
XLogP4.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.31
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
N-(2-adamantyl)-2-(2-bromo-4-methylphenoxy)acetamide
CID 1370294
2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956953
cis-(1S,2R)-2-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 11839049
2-(2-bromo-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7949213
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123697
N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63324573
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(1R,2R)-2-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 99649390
2-(2-bromo-4-chlorophenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11919791
2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18196743

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide (CID 1012712) is 2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide is Cc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2ccc(C)cc2Br)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The InChIKey is DKNGARKVASESFD-PMACEKPBSA-N. The full InChI is InChI=1S/C24H28Br2N2O4/c1-15-7-9-21(17(25)11-15)31-13-23(29)27-19-5-3-4-6-20(19)28-24(30)14-32-22-10-8-16(2)12-18(22)26/h7-12,19-20H,3-6,13-14H2,1-2H3,(H,27,29)(H,28,30)/t19-,20-/m0/s1.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide?
2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide has a molecular weight of 568.31 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 1012712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).