N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide

C15H20BrNO2 — CID 114147724

IUPACN-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC1CCCC(Br)C1
InChIInChI=1S/C15H20BrNO2/c16-13-6-4-5-12(9-13)10-17-15(18)11-19-14-7-2-1-3-8-14/h1-3,7-8,12-13H,4-6,9-11H2,(H,17,18)
InChIKeyPUMDFDHVOIIKKB-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.14
Rot. Bonds5

About N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide

N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide (PubChem CID 114147724) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide
PubChem CID114147724
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC1CCCC(Br)C1
InChIInChI=1S/C15H20BrNO2/c16-13-6-4-5-12(9-13)10-17-15(18)11-19-14-7-2-1-3-8-14/h1-3,7-8,12-13H,4-6,9-11H2,(H,17,18)
InChIKeyPUMDFDHVOIIKKB-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.14
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-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide
CID 106123073
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
N-[(3-bromocyclohexyl)methyl]-2-(2,6-difluorophenyl)acetamide
CID 106133060
2-phenoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 16895414
N-[[2-[[(2-phenoxyacetyl)amino]methyl]cyclohexyl]methyl]propanamide
CID 159510445
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
CID 97180854
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
N-(cyclobutylmethyl)-2-[4-(pyrrolidine-1-carbonyl)phenoxy]acetamide
CID 71932136
N-[(3-bromocyclohexyl)methyl]-3,3-dimethylbutanamide
CID 106132571

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide (CID 114147724) is N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCC1CCCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide?
The InChIKey is PUMDFDHVOIIKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c16-13-6-4-5-12(9-13)10-17-15(18)11-19-14-7-2-1-3-8-14/h1-3,7-8,12-13H,4-6,9-11H2,(H,17,18).
What are the key properties of N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide?
N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide has a molecular weight of 326.23 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 114147724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).