2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide

C15H19Br2NO3 — CID 106122198

IUPAC2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NCC1CCC(O)CC1
InChIInChI=1S/C15H19Br2NO3/c16-11-3-6-14(13(17)7-11)21-9-15(20)18-8-10-1-4-12(19)5-2-10/h3,6-7,10,12,19H,1-2,4-5,8-9H2,(H,18,20)
InChIKeyCVQZERXBOANCHL-UHFFFAOYSA-N
MW421.13 g/mol
LogP3.26
Rot. Bonds5

About 2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide

2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide (PubChem CID 106122198) has the molecular formula C15H19Br2NO3 and a molecular weight of 421.13 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
PubChem CID106122198
Molecular FormulaC15H19Br2NO3
Molecular Weight421.13 g/mol
Exact Mass418.97
IUPAC Name2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)NCC1CCC(O)CC1
InChIInChI=1S/C15H19Br2NO3/c16-11-3-6-14(13(17)7-11)21-9-15(20)18-8-10-1-4-12(19)5-2-10/h3,6-7,10,12,19H,1-2,4-5,8-9H2,(H,18,20)
InChIKeyCVQZERXBOANCHL-UHFFFAOYSA-N
XLogP3.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.13
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123697
2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 65430722
2-(4-bromo-2-fluorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66005157
3-bromo-4-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910326
3-[3-bromo-4-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 76983165
2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide
CID 60907106
2-(2,3-dimethylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106124065
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
2-(2,4-dibromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751475
N-(cyclopropylmethyl)-2-(2-iodophenoxy)acetamide
CID 38880107
2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide (CID 106122198) is 2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide is O=C(COc1ccc(Br)cc1Br)NCC1CCC(O)CC1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is CVQZERXBOANCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO3/c16-11-3-6-14(13(17)7-11)21-9-15(20)18-8-10-1-4-12(19)5-2-10/h3,6-7,10,12,19H,1-2,4-5,8-9H2,(H,18,20).
What are the key properties of 2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide?
2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 421.13 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 106122198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).