N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide

C18H22BrNO — CID 114317561

IUPACN-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide
SMILESCCC(CCBr)CNC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H22BrNO/c1-2-14(9-10-19)13-20-18(21)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,20,21)
InChIKeyKJGZGKABGSZHHU-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.31
Rot. Bonds7

About N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide

N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide (PubChem CID 114317561) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide
PubChem CID114317561
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide
SMILESCCC(CCBr)CNC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H22BrNO/c1-2-14(9-10-19)13-20-18(21)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,20,21)
InChIKeyKJGZGKABGSZHHU-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.31
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

N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
N-(2-bromoethyl)-2-naphthalen-2-ylacetamide
CID 43133408
N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide
CID 113276407
N-(2,3-dihydroxypropyl)-2-naphthalen-2-ylacetamide
CID 66175171
N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
CID 114145851
N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide
CID 106117964
N-(4-aminopentyl)-2-naphthalen-2-ylacetamide
CID 106122522
N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide
CID 114315688
N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115
2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723083
N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 114306557
N-(4-bromo-2-ethylbutyl)-2,6-dihydroxybenzamide
CID 107691145

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide (CID 114317561) is N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide is CCC(CCBr)CNC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide?
The InChIKey is KJGZGKABGSZHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-2-14(9-10-19)13-20-18(21)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide?
N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide has a molecular weight of 348.28 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 114317561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).