N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide

C17H18BrNO — CID 114315688

IUPACN-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCC(Br)C1CC1
InChIInChI=1S/C17H18BrNO/c18-16(14-7-8-14)11-19-17(20)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,14,16H,7-8,10-11H2,(H,19,20)
InChIKeyYTCVPDATOJIFPB-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.67
Rot. Bonds5

About N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide

N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide (PubChem CID 114315688) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide
PubChem CID114315688
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCC(Br)C1CC1
InChIInChI=1S/C17H18BrNO/c18-16(14-7-8-14)11-19-17(20)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,14,16H,7-8,10-11H2,(H,19,20)
InChIKeyYTCVPDATOJIFPB-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.67
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-(2,3-dihydroxypropyl)-2-naphthalen-2-ylacetamide
CID 66175171
2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723083
N-(2-bromoethyl)-2-naphthalen-2-ylacetamide
CID 43133408
N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide
CID 114317561
N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide
CID 21042068
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408
N-(2-amino-2-oxoethyl)-2-naphthalen-2-ylacetamide
CID 9296472
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
N-[(1R,2R)-2-hydroxycyclohexyl]-2-naphthalen-2-ylacetamide
CID 104927093
N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide
CID 111460495
2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17412718

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide (CID 114315688) is N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)NCC(Br)C1CC1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide?
The InChIKey is YTCVPDATOJIFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c18-16(14-7-8-14)11-19-17(20)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,14,16H,7-8,10-11H2,(H,19,20).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide?
N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide has a molecular weight of 332.24 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 114315688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).