N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide

C16H16BrF2NO — CID 107491590

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)N(CCBr)CC(F)F
InChIInChI=1S/C16H16BrF2NO/c17-8-9-20(11-15(18)19)16(21)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,15H,8-11H2
InChIKeyLGHMGRTZLGDGSS-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.87
Rot. Bonds6

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide (PubChem CID 107491590) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide
PubChem CID107491590
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)N(CCBr)CC(F)F
InChIInChI=1S/C16H16BrF2NO/c17-8-9-20(11-15(18)19)16(21)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,15H,8-11H2
InChIKeyLGHMGRTZLGDGSS-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.87
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,N-bis(2-hydroxyethyl)-2-naphthalen-1-ylacetamide
CID 60653051
N-(2-bromoethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide
CID 107491794
N-(2-aminoethyl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 61350278
N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 51092598
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-hydroxy-2-methylbenzamide
CID 107491853
N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide
CID 111695871
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216
N-(2-aminoethyl)-N-cyclobutyl-2-naphthalen-1-ylacetamide
CID 102874058
3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 60989846
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
N-(3-aminopropyl)-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 43319276

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide (CID 107491590) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide?
The InChIKey is LGHMGRTZLGDGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c17-8-9-20(11-15(18)19)16(21)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,15H,8-11H2.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide has a molecular weight of 356.21 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 107491590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).