2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide

C16H21BrClNO2 — CID 19201338

IUPAC2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide
SMILESCc1cc(OCC(=O)NC2CCCCC2)c(Br)c(C)c1Cl
InChIInChI=1S/C16H21BrClNO2/c1-10-8-13(15(17)11(2)16(10)18)21-9-14(20)19-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyIHXRQRPOWMIGDU-UHFFFAOYSA-N
MW374.71 g/mol
LogP4.55
Rot. Bonds4

About 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide

2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide (PubChem CID 19201338) has the molecular formula C16H21BrClNO2 and a molecular weight of 374.71 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide
PubChem CID19201338
Molecular FormulaC16H21BrClNO2
Molecular Weight374.71 g/mol
Exact Mass373.04
IUPAC Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide
SMILESCc1cc(OCC(=O)NC2CCCCC2)c(Br)c(C)c1Cl
InChIInChI=1S/C16H21BrClNO2/c1-10-8-13(15(17)11(2)16(10)18)21-9-14(20)19-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyIHXRQRPOWMIGDU-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclododecylbutanamide
CID 19205855
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-prop-2-enylacetamide
CID 19201327
2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
2-[5-(azepan-1-ylsulfonyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide
CID 1293677
2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide
CID 2203667
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
2-[[2-(2-bromo-4-chloro-3,5-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1179584
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19201755
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
CID 107284188
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide?
The IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide (CID 19201338) is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide?
The canonical SMILES for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide is Cc1cc(OCC(=O)NC2CCCCC2)c(Br)c(C)c1Cl.
What is the InChIKey of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide?
The InChIKey is IHXRQRPOWMIGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClNO2/c1-10-8-13(15(17)11(2)16(10)18)21-9-14(20)19-12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide?
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide has a molecular weight of 374.71 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide is sourced from PubChem (CID 19201338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).