N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide

C16H20BrCl2NO — CID 80652853

IUPACN-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(CCBr)C1CCCCC1
InChIInChI=1S/C16H20BrCl2NO/c17-8-9-20(13-4-2-1-3-5-13)16(21)11-12-6-7-14(18)15(19)10-12/h6-7,10,13H,1-5,8-9,11H2
InChIKeyOIXCRDLGYGZJLB-UHFFFAOYSA-N
MW393.15 g/mol
LogP5.09
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide

N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide (PubChem CID 80652853) has the molecular formula C16H20BrCl2NO and a molecular weight of 393.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
PubChem CID80652853
Molecular FormulaC16H20BrCl2NO
Molecular Weight393.15 g/mol
Exact Mass391.01
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(CCBr)C1CCCCC1
InChIInChI=1S/C16H20BrCl2NO/c17-8-9-20(13-4-2-1-3-5-13)16(21)11-12-6-7-14(18)15(19)10-12/h6-7,10,13H,1-5,8-9,11H2
InChIKeyOIXCRDLGYGZJLB-UHFFFAOYSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.15
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-2-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)acetamide
CID 102684283
N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
CID 80658910
N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 80658598
N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 80678119
N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 80659219
2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 169447588
N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 80659112
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013693
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide (CID 80652853) is N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is OIXCRDLGYGZJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrCl2NO/c17-8-9-20(13-4-2-1-3-5-13)16(21)11-12-6-7-14(18)15(19)10-12/h6-7,10,13H,1-5,8-9,11H2.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide?
N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 393.15 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 80652853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).