2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide

C17H20BrNO2 — CID 2234260

IUPAC2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cc1c(OC)ccc2cc(Br)ccc12
InChIInChI=1S/C17H20BrNO2/c1-4-11(2)19-17(20)10-15-14-7-6-13(18)9-12(14)5-8-16(15)21-3/h5-9,11H,4,10H2,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyORSBTCMYYHECCE-NSHDSACASA-N
MW350.26 g/mol
LogP4.07
Rot. Bonds5

About 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide

2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide (PubChem CID 2234260) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide
PubChem CID2234260
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)Cc1c(OC)ccc2cc(Br)ccc12
InChIInChI=1S/C17H20BrNO2/c1-4-11(2)19-17(20)10-15-14-7-6-13(18)9-12(14)5-8-16(15)21-3/h5-9,11H,4,10H2,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyORSBTCMYYHECCE-NSHDSACASA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
CID 4729799
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide
CID 4729727
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-chlorophenyl)acetamide
CID 4729726
2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide
CID 1034200
naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate
CID 4864831
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 4729780
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide
CID 4729784
5-[(6-bromo-2-methoxynaphthalen-1-yl)methylamino]-5-oxopentanoic acid
CID 3484079
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,4-dimethyl-6-nitrophenyl)acetamide
CID 4729731
N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide
CID 3480217
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-butan-2-ylacetamide
CID 43083056
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2979247

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide?
The IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide (CID 2234260) is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide.
What is the SMILES notation for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide?
The canonical SMILES for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide is CC[C@H](C)NC(=O)Cc1c(OC)ccc2cc(Br)ccc12.
What is the InChIKey of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide?
The InChIKey is ORSBTCMYYHECCE-NSHDSACASA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-4-11(2)19-17(20)10-15-14-7-6-13(18)9-12(14)5-8-16(15)21-3/h5-9,11H,4,10H2,1-3H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide?
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide has a molecular weight of 350.26 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide is sourced from PubChem (CID 2234260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).