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

C15H19BrClNO2 — CID 114314207

IUPACN-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1(CBr)CCCCC1
InChIInChI=1S/C15H19BrClNO2/c16-11-15(8-2-1-3-9-15)18-14(19)10-20-13-6-4-12(17)5-7-13/h4-7H,1-3,8-11H2,(H,18,19)
InChIKeyBVYDJBVMAGMMGA-UHFFFAOYSA-N
MW360.68 g/mol
LogP3.93
Rot. Bonds5

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

N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 114314207) has the molecular formula C15H19BrClNO2 and a molecular weight of 360.68 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide
PubChem CID114314207
Molecular FormulaC15H19BrClNO2
Molecular Weight360.68 g/mol
Exact Mass359.03
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC1(CBr)CCCCC1
InChIInChI=1S/C15H19BrClNO2/c16-11-15(8-2-1-3-9-15)18-14(19)10-20-13-6-4-12(17)5-7-13/h4-7H,1-3,8-11H2,(H,18,19)
InChIKeyBVYDJBVMAGMMGA-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide
CID 61118939
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954312
N-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-chlorophenoxy)acetamide
CID 155254690
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-(4-chlorophenoxy)acetamide
CID 114758307
N-[1-(aminomethyl)cyclohexyl]-2-phenoxyacetamide
CID 63755837
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119567396
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-[1-[(2-phenoxyacetyl)amino]cyclopentyl]acetic acid
CID 64673162
1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43239141

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide (CID 114314207) is N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)NC1(CBr)CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is BVYDJBVMAGMMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO2/c16-11-15(8-2-1-3-9-15)18-14(19)10-20-13-6-4-12(17)5-7-13/h4-7H,1-3,8-11H2,(H,18,19).
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide?
N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 360.68 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 114314207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).