N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide

C17H18BrNO2 — CID 115897768

IUPACN-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C17H18BrNO2/c18-15-8-9-16(14-7-2-1-6-13(14)15)19-17(20)11-12-5-3-4-10-21-12/h1-2,6-9,12H,3-5,10-11H2,(H,19,20)
InChIKeyZXKGEISDDMKYRU-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.50
Rot. Bonds3

About N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide

N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide (PubChem CID 115897768) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide
PubChem CID115897768
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C17H18BrNO2/c18-15-8-9-16(14-7-2-1-6-13(14)15)19-17(20)11-12-5-3-4-10-21-12/h1-2,6-9,12H,3-5,10-11H2,(H,19,20)
InChIKeyZXKGEISDDMKYRU-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide
CID 104880413
3-fluoro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]benzoic acid
CID 129372952
2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 110422651
N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 113234651
N-(2-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110425335
N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide
CID 103144399
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
N-(6-bromo-3-pyridinyl)-2-(oxan-2-yl)acetamide
CID 110614780
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
CID 113255462
N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide
CID 47461932
N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 114304745

Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide?
The IUPAC name of N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide (CID 115897768) is N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide is O=C(CC1CCCCO1)Nc1ccc(Br)c2ccccc12.
What is the InChIKey of N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide?
The InChIKey is ZXKGEISDDMKYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c18-15-8-9-16(14-7-2-1-6-13(14)15)19-17(20)11-12-5-3-4-10-21-12/h1-2,6-9,12H,3-5,10-11H2,(H,19,20).
What are the key properties of N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide?
N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide has a molecular weight of 348.24 g/mol, XLogP of 4.50, 3 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-(oxan-2-yl)acetamide is sourced from PubChem (CID 115897768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).