N-(2-bromoethyl)-2-naphthalen-2-ylacetamide

C14H14BrNO — CID 43133408

IUPACN-(2-bromoethyl)-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCCBr
InChIInChI=1S/C14H14BrNO/c15-7-8-16-14(17)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9H,7-8,10H2,(H,16,17)
InChIKeyODJOSSLZQSKLHS-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.89
Rot. Bonds4

About N-(2-bromoethyl)-2-naphthalen-2-ylacetamide

N-(2-bromoethyl)-2-naphthalen-2-ylacetamide (PubChem CID 43133408) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-naphthalen-2-ylacetamide
PubChem CID43133408
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC NameN-(2-bromoethyl)-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCCBr
InChIInChI=1S/C14H14BrNO/c15-7-8-16-14(17)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9H,7-8,10H2,(H,16,17)
InChIKeyODJOSSLZQSKLHS-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.89
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-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
N-[2-(ethylamino)ethyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119504641
2-naphthalen-2-yl-N-pent-4-ynylacetamide
CID 103709060
N-(2-amino-2-oxoethyl)-2-naphthalen-2-ylacetamide
CID 9296472
N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide
CID 114317561
N-(3-azidopropyl)-2-naphthalen-2-ylacetamide
CID 61343834
N-(4-aminopentyl)-2-naphthalen-2-ylacetamide
CID 106122522
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide
CID 103767492
2-naphthalen-2-yl-N-(2-quinolin-2-ylethyl)acetamide
CID 71940496
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
tert-butyl N-[4-[(2-naphthalen-2-ylacetyl)amino]butyl]carbamate
CID 19989025
2-naphthalen-2-yl-N-(3-phenylmethoxypropyl)acetamide
CID 41365702

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(2-bromoethyl)-2-naphthalen-2-ylacetamide (CID 43133408) is N-(2-bromoethyl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(2-bromoethyl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(2-bromoethyl)-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)NCCBr.
What is the InChIKey of N-(2-bromoethyl)-2-naphthalen-2-ylacetamide?
The InChIKey is ODJOSSLZQSKLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c15-7-8-16-14(17)10-11-5-6-12-3-1-2-4-13(12)9-11/h1-6,9H,7-8,10H2,(H,16,17).
What are the key properties of N-(2-bromoethyl)-2-naphthalen-2-ylacetamide?
N-(2-bromoethyl)-2-naphthalen-2-ylacetamide has a molecular weight of 292.18 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 43133408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).