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

C15H16BrNO — CID 80658951

IUPACN-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide
SMILESCN(CCBr)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C15H16BrNO/c1-17(9-8-16)15(18)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-7,10H,8-9,11H2,1H3
InChIKeyZEHSTQYCGWTFQN-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.24
Rot. Bonds4

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

N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide (PubChem CID 80658951) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide
PubChem CID80658951
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide
SMILESCN(CCBr)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C15H16BrNO/c1-17(9-8-16)15(18)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-7,10H,8-9,11H2,1H3
InChIKeyZEHSTQYCGWTFQN-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 55149469
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
CID 61031185
2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 18071237
N-[(2-bromophenyl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
CID 34866908
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 63929126
N-(1-hydroxypropan-2-yl)-N-methyl-2-naphthalen-2-ylacetamide
CID 115765000
2-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoic acid
CID 62817552
N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 47402323
N,N-dibenzyl-2-naphthalen-2-ylacetamide
CID 16849652
N-(2-bromoethyl)-2-naphthalen-2-ylacetamide
CID 43133408
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-naphthalen-2-ylacetamide
CID 39735523
2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 61021983

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide (CID 80658951) is N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide is CN(CCBr)C(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide?
The InChIKey is ZEHSTQYCGWTFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-17(9-8-16)15(18)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-7,10H,8-9,11H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide?
N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide has a molecular weight of 306.20 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-methyl-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 80658951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).