2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide

C16H18BrNO — CID 114328072

IUPAC2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)C(C)(C)Br
InChIInChI=1S/C16H18BrNO/c1-16(2,17)15(19)18(3)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,11H2,1-3H3
InChIKeyOEOCNMMSLCMUPZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.97
Rot. Bonds3

About 2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide

2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide (PubChem CID 114328072) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide
PubChem CID114328072
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)C(C)(C)Br
InChIInChI=1S/C16H18BrNO/c1-16(2,17)15(19)18(3)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,11H2,1-3H3
InChIKeyOEOCNMMSLCMUPZ-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.97
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

2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide
CID 61264255
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270374
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60936685
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(naphthalen-2-ylmethyl)acetamide
CID 115950185
N-methyl-N-(naphthalen-2-ylmethyl)prop-2-enamide
CID 54874632
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
CID 79013131
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270375
3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea
CID 34711127
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpropanamide
CID 115649422
N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 27073013
5-bromo-N-methyl-N-(naphthalen-2-ylmethyl)thiophene-2-carboxamide
CID 60646059
(2R)-2-amino-N-benzyl-N-methyl-2-naphthalen-2-ylpropanamide
CID 22880268

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide?
The IUPAC name of 2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide (CID 114328072) is 2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide?
The canonical SMILES for 2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide is CN(Cc1ccc2ccccc2c1)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide?
The InChIKey is OEOCNMMSLCMUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-16(2,17)15(19)18(3)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,11H2,1-3H3.
What are the key properties of 2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide?
2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide has a molecular weight of 320.23 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide is sourced from PubChem (CID 114328072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).