N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide

C16H18BrNO — CID 113384510

IUPACN-(4-bromonaphthalen-1-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C16H18BrNO/c1-3-11(4-2)16(19)18-15-10-9-14(17)12-7-5-6-8-13(12)15/h5-11H,3-4H2,1-2H3,(H,18,19)
InChIKeyGEEHOKODKSNKHH-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.98
Rot. Bonds4

About N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide

N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide (PubChem CID 113384510) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(4-bromonaphthalen-1-yl)-2-ethylbutanamide
PubChem CID113384510
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC NameN-(4-bromonaphthalen-1-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C16H18BrNO/c1-3-11(4-2)16(19)18-15-10-9-14(17)12-7-5-6-8-13(12)15/h5-11H,3-4H2,1-2H3,(H,18,19)
InChIKeyGEEHOKODKSNKHH-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(4-bromonaphthalen-1-yl)butanamide
CID 113384503
N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide
CID 2930699
N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide
CID 113349937
2-[acetyl(methyl)amino]-N-(4-bromonaphthalen-1-yl)acetamide
CID 86814487
N-(3,4-dibromophenyl)-2-ethylbutanamide
CID 3701645
N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide
CID 17312049
2-ethyl-N-naphthalen-1-ylhexanamide
CID 3580350
4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine
CID 113384458
N-(2-bromophenyl)-2-propylpentanamide
CID 115532233
2-(2-ethylbutanoylamino)benzamide
CID 1214109
1-(4-bromonaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
CID 168868759
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136

Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide?
The IUPAC name of N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide (CID 113384510) is N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide?
The canonical SMILES for N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(Br)c2ccccc12.
What is the InChIKey of N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide?
The InChIKey is GEEHOKODKSNKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-3-11(4-2)16(19)18-15-10-9-14(17)12-7-5-6-8-13(12)15/h5-11H,3-4H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide?
N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide has a molecular weight of 320.23 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide is sourced from PubChem (CID 113384510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).