N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide

C15H18BrCl2NO — CID 106367187

IUPACN-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NC1CCCCC1CBr
InChIInChI=1S/C15H18BrCl2NO/c16-9-11-3-1-2-4-14(11)19-15(20)8-10-5-6-12(17)13(18)7-10/h5-7,11,14H,1-4,8-9H2,(H,19,20)
InChIKeyXSPWFLMXVOAVBM-UHFFFAOYSA-N
MW379.13 g/mol
LogP4.61
Rot. Bonds4

About N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide

N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide (PubChem CID 106367187) has the molecular formula C15H18BrCl2NO and a molecular weight of 379.13 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide
PubChem CID106367187
Molecular FormulaC15H18BrCl2NO
Molecular Weight379.13 g/mol
Exact Mass376.99
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NC1CCCCC1CBr
InChIInChI=1S/C15H18BrCl2NO/c16-9-11-3-1-2-4-14(11)19-15(20)8-10-5-6-12(17)13(18)7-10/h5-7,11,14H,1-4,8-9H2,(H,19,20)
InChIKeyXSPWFLMXVOAVBM-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.13
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 18930457
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
N-[2-(bromomethyl)cyclopentyl]-2-(3-bromophenyl)acetamide
CID 106366253
2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 18206629
N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 106366301
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
N-[2-(bromomethyl)cyclohexyl]-4-chloro-3-methylbenzamide
CID 114179693
N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide
CID 106367286
N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106366410
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
2-(3,4-dichlorophenyl)-N-[(1S)-2-oxocyclopentyl]acetamide
CID 130333464
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 155917808

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide (CID 106367187) is N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NC1CCCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is XSPWFLMXVOAVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrCl2NO/c16-9-11-3-1-2-4-14(11)19-15(20)8-10-5-6-12(17)13(18)7-10/h5-7,11,14H,1-4,8-9H2,(H,19,20).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide?
N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 379.13 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 106367187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).