N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide

C16H23BrN2O — CID 60921067

IUPACN-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
SMILESO=C(CNCCC1CCCCC1)Nc1ccccc1Br
InChIInChI=1S/C16H23BrN2O/c17-14-8-4-5-9-15(14)19-16(20)12-18-11-10-13-6-2-1-3-7-13/h4-5,8-9,13,18H,1-3,6-7,10-12H2,(H,19,20)
InChIKeyGTNAOKARVFYGGQ-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.95
Rot. Bonds6

About N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide

N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide (PubChem CID 60921067) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
PubChem CID60921067
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
SMILESO=C(CNCCC1CCCCC1)Nc1ccccc1Br
InChIInChI=1S/C16H23BrN2O/c17-14-8-4-5-9-15(14)19-16(20)12-18-11-10-13-6-2-1-3-7-13/h4-5,8-9,13,18H,1-3,6-7,10-12H2,(H,19,20)
InChIKeyGTNAOKARVFYGGQ-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclohexylethylamino)-N-(2-fluorophenyl)acetamide
CID 60921066
N-(2-bromophenyl)-2-[2-(oxolan-3-yl)ethylamino]acetamide
CID 102672827
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
N-(3-bromophenyl)-2-(2-cyclohexylethylamino)acetamide
CID 60920962
N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
CID 106130097
2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599
N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515633
N-(2-bromophenyl)-3-(cyclohexylamino)propanamide
CID 109014255
2-(2-cyclopentylethylamino)-N-(2,6-dichlorophenyl)acetamide
CID 60919366
N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 28586901
N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide
CID 60646717
N-(2-bromophenyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418229

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide (CID 60921067) is N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide is O=C(CNCCC1CCCCC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide?
The InChIKey is GTNAOKARVFYGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c17-14-8-4-5-9-15(14)19-16(20)12-18-11-10-13-6-2-1-3-7-13/h4-5,8-9,13,18H,1-3,6-7,10-12H2,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide?
N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide has a molecular weight of 339.28 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-cyclohexylethylamino)acetamide is sourced from PubChem (CID 60921067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).