N-(6-bromonaphthalen-2-yl)-3-methylbutanamide

C15H16BrNO — CID 81259381

IUPACN-(6-bromonaphthalen-2-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16BrNO/c1-10(2)7-15(18)17-14-6-4-11-8-13(16)5-3-12(11)9-14/h3-6,8-10H,7H2,1-2H3,(H,17,18)
InChIKeyUAIRGFPUDWFMJW-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.59
Rot. Bonds3

About N-(6-bromonaphthalen-2-yl)-3-methylbutanamide

N-(6-bromonaphthalen-2-yl)-3-methylbutanamide (PubChem CID 81259381) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)-3-methylbutanamide
PubChem CID81259381
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-(6-bromonaphthalen-2-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H16BrNO/c1-10(2)7-15(18)17-14-6-4-11-8-13(16)5-3-12(11)9-14/h3-6,8-10H,7H2,1-2H3,(H,17,18)
InChIKeyUAIRGFPUDWFMJW-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
CID 81260017
N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide
CID 81003623
(2R)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 104903779
N-(6-bromonaphthalen-2-yl)-2-ethoxyacetamide
CID 81003546
N-(6-bromonaphthalen-2-yl)-2-cyclopropylacetamide
CID 81004000
2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 81266386
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)-2,2-dimethylpropanamide
CID 81260371
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-(4-bromo-2-iodophenyl)-3-methylbutanamide
CID 4008135
2-[(6-bromonaphthalen-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 81266788

Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)-3-methylbutanamide?
The IUPAC name of N-(6-bromonaphthalen-2-yl)-3-methylbutanamide (CID 81259381) is N-(6-bromonaphthalen-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)-3-methylbutanamide is CC(C)CC(=O)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)-3-methylbutanamide?
The InChIKey is UAIRGFPUDWFMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-10(2)7-15(18)17-14-6-4-11-8-13(16)5-3-12(11)9-14/h3-6,8-10H,7H2,1-2H3,(H,17,18).
What are the key properties of N-(6-bromonaphthalen-2-yl)-3-methylbutanamide?
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide has a molecular weight of 306.20 g/mol, XLogP of 4.59, 3 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)-3-methylbutanamide is sourced from PubChem (CID 81259381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).