N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide

C15H13BrN2O — CID 115898158

IUPACN-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C15H13BrN2O/c1-15(2,9-17)14(19)18-13-8-7-12(16)10-5-3-4-6-11(10)13/h3-8H,1-2H3,(H,18,19)
InChIKeyUGHRHVYXVKXWET-UHFFFAOYSA-N
MW317.19 g/mol
LogP4.09
Rot. Bonds2

About N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide

N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide (PubChem CID 115898158) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide
PubChem CID115898158
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC NameN-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C15H13BrN2O/c1-15(2,9-17)14(19)18-13-8-7-12(16)10-5-3-4-6-11(10)13/h3-8H,1-2H3,(H,18,19)
InChIKeyUGHRHVYXVKXWET-UHFFFAOYSA-N
XLogP4.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-chlorophenyl)-2-cyano-2-methylpropanamide
CID 81028368
N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide
CID 113349937
2-cyano-2-methyl-N-(2-methylphenyl)propanamide
CID 60778630
2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide
CID 115174941
2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 60778681
N-(4-bromo-3-chlorophenyl)-2-cyano-2-methylpropanamide
CID 103824740
N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide
CID 113384510
2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide
CID 86814487
N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide
CID 2930699
2-cyano-2-methyl-N-pyridin-2-ylpropanamide
CID 60778942
2-amino-N-(4-bromonaphthalen-1-yl)butanamide
CID 113384503
2-[(4-bromonaphthalen-1-yl)amino]-N-(2-cyanoethyl)acetamide
CID 115897513

Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide?
The IUPAC name of N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide (CID 115898158) is N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide.
What is the SMILES notation for N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide?
The canonical SMILES for N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide is CC(C)(C#N)C(=O)Nc1ccc(Br)c2ccccc12.
What is the InChIKey of N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide?
The InChIKey is UGHRHVYXVKXWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-15(2,9-17)14(19)18-13-8-7-12(16)10-5-3-4-6-11(10)13/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide?
N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide has a molecular weight of 317.19 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide is sourced from PubChem (CID 115898158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).