2-bromo-N-(6-bromonaphthalen-2-yl)butanamide

C14H13Br2NO — CID 81260484

IUPAC2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13Br2NO/c1-2-13(16)14(18)17-12-6-4-9-7-11(15)5-3-10(9)8-12/h3-8,13H,2H2,1H3,(H,17,18)
InChIKeyQDVMFVDXCQCANB-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.71
Rot. Bonds3

About 2-bromo-N-(6-bromonaphthalen-2-yl)butanamide

2-bromo-N-(6-bromonaphthalen-2-yl)butanamide (PubChem CID 81260484) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-bromo-N-(6-bromonaphthalen-2-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
PubChem CID81260484
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H13Br2NO/c1-2-13(16)14(18)17-12-6-4-9-7-11(15)5-3-10(9)8-12/h3-8,13H,2H2,1H3,(H,17,18)
InChIKeyQDVMFVDXCQCANB-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
(2R)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 104903779
2-bromo-N-(2,5-dibromophenyl)butanamide
CID 62856561
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381
2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide
CID 21343940
2-(aminomethyl)-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 81266386
3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
CID 81260017
methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate
CID 112617488
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454
2-bromo-N-(4-fluoro-3-methylphenyl)butanamide
CID 62856020
(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-bromonaphthalen-2-yl)butanamide?
The IUPAC name of 2-bromo-N-(6-bromonaphthalen-2-yl)butanamide (CID 81260484) is 2-bromo-N-(6-bromonaphthalen-2-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(6-bromonaphthalen-2-yl)butanamide?
The canonical SMILES for 2-bromo-N-(6-bromonaphthalen-2-yl)butanamide is CCC(Br)C(=O)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-bromo-N-(6-bromonaphthalen-2-yl)butanamide?
The InChIKey is QDVMFVDXCQCANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-2-13(16)14(18)17-12-6-4-9-7-11(15)5-3-10(9)8-12/h3-8,13H,2H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(6-bromonaphthalen-2-yl)butanamide?
2-bromo-N-(6-bromonaphthalen-2-yl)butanamide has a molecular weight of 371.07 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-bromonaphthalen-2-yl)butanamide is sourced from PubChem (CID 81260484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).