N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide

C15H16BrNO — CID 81260371

IUPACN-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16BrNO/c1-15(2,3)14(18)17-13-7-5-10-8-12(16)6-4-11(10)9-13/h4-9H,1-3H3,(H,17,18)
InChIKeyJLZIXXDIUWIWAA-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.59
Rot. Bonds1

About N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide

N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide (PubChem CID 81260371) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
PubChem CID81260371
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16BrNO/c1-15(2,3)14(18)17-13-7-5-10-8-12(16)6-4-11(10)9-13/h4-9H,1-3H3,(H,17,18)
InChIKeyJLZIXXDIUWIWAA-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
N-isoquinolin-6-yl-2,2-dimethylpropanamide
CID 135199975
2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid
CID 81266952
methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate
CID 112617488
2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
CID 81260484
N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
CID 81266206
N-(6-bromonaphthalen-2-yl)but-2-ynamide
CID 107987946
N-(6-bromonaphthalen-2-yl)prop-2-enamide
CID 81259787
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381
N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide
CID 81003623
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
2-bromo-5-(2,2-dimethylpropanoylamino)benzoic acid
CID 115295714

Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide (CID 81260371) is N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide?
The InChIKey is JLZIXXDIUWIWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-15(2,3)14(18)17-13-7-5-10-8-12(16)6-4-11(10)9-13/h4-9H,1-3H3,(H,17,18).
What are the key properties of N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide?
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide has a molecular weight of 306.20 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 81260371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).