N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide

C14H17BrClNO — CID 80672572

IUPACN-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide
SMILESCN(CC1CC(Br)C1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H17BrClNO/c1-17(9-11-5-12(15)6-11)14(18)8-10-3-2-4-13(16)7-10/h2-4,7,11-12H,5-6,8-9H2,1H3
InChIKeyORYRWTBSWNGCLX-UHFFFAOYSA-N
MW330.65 g/mol
LogP3.51
Rot. Bonds4

About N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide

N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide (PubChem CID 80672572) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide
PubChem CID80672572
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC NameN-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide
SMILESCN(CC1CC(Br)C1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H17BrClNO/c1-17(9-11-5-12(15)6-11)14(18)8-10-3-2-4-13(16)7-10/h2-4,7,11-12H,5-6,8-9H2,1H3
InChIKeyORYRWTBSWNGCLX-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 53.51
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-[(3-bromocyclobutyl)methyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 80673108
N-[(3-bromocyclobutyl)methyl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 80672473
2-(3-chlorophenyl)-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 110710564
N-[(3-bromocyclobutyl)methyl]-N-methyl-3-phenylpropanamide
CID 80672512
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide
CID 66185680
N-(cyclobutylmethyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55126003
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate
CID 60615788
N-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide
CID 106128298
1-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-2-(3-chlorophenyl)ethanone
CID 80677755
N-[(3-bromocyclobutyl)methyl]-N-methyl-3-(2-methylphenyl)propanamide
CID 80672869
N-[(3-bromocyclobutyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81262623

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide (CID 80672572) is N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide is CN(CC1CC(Br)C1)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide?
The InChIKey is ORYRWTBSWNGCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-17(9-11-5-12(15)6-11)14(18)8-10-3-2-4-13(16)7-10/h2-4,7,11-12H,5-6,8-9H2,1H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide?
N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide has a molecular weight of 330.65 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-2-(3-chlorophenyl)-N-methylacetamide is sourced from PubChem (CID 80672572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).