2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide

C15H19BrClNO3 — CID 62520939

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NC1(CO)CCCCC1
InChIInChI=1S/C15H19BrClNO3/c16-11-4-5-13(12(17)8-11)21-9-14(20)18-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10H2,(H,18,20)
InChIKeyHDAAPGJTICRNGY-UHFFFAOYSA-N
MW376.68 g/mol
LogP3.29
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 62520939) has the molecular formula C15H19BrClNO3 and a molecular weight of 376.68 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
PubChem CID62520939
Molecular FormulaC15H19BrClNO3
Molecular Weight376.68 g/mol
Exact Mass375.02
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NC1(CO)CCCCC1
InChIInChI=1S/C15H19BrClNO3/c16-11-4-5-13(12(17)8-11)21-9-14(20)18-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10H2,(H,18,20)
InChIKeyHDAAPGJTICRNGY-UHFFFAOYSA-N
XLogP3.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.68
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522356
2-(2,4-difluorophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519487
1-[[2-(2,4-dibromophenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158229
1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea
CID 4981145
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 119564877
4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoic acid
CID 4632414
methyl (2R)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-hydroxypropanoate
CID 9277942
2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide
CID 79194704
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
(2S)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833666
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9289898

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide (CID 62520939) is 2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide is O=C(COc1ccc(Br)cc1Cl)NC1(CO)CCCCC1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is HDAAPGJTICRNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO3/c16-11-4-5-13(12(17)8-11)21-9-14(20)18-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10H2,(H,18,20).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 376.68 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 62520939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).