2-bromo-2-fluoro-N-naphthalen-1-ylacetamide

C12H9BrFNO — CID 163361767

IUPAC2-bromo-2-fluoro-N-naphthalen-1-ylacetamide
SMILESO=C(Nc1cccc2ccccc12)C(F)Br
InChIInChI=1S/C12H9BrFNO/c13-11(14)12(16)15-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,(H,15,16)
InChIKeyTURQAUQPDJDLGU-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.47
Rot. Bonds2

About 2-bromo-2-fluoro-N-naphthalen-1-ylacetamide

2-bromo-2-fluoro-N-naphthalen-1-ylacetamide (PubChem CID 163361767) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is 2-bromo-2-fluoro-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-bromo-2-fluoro-N-naphthalen-1-ylacetamide
PubChem CID163361767
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name2-bromo-2-fluoro-N-naphthalen-1-ylacetamide
SMILESO=C(Nc1cccc2ccccc12)C(F)Br
InChIInChI=1S/C12H9BrFNO/c13-11(14)12(16)15-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,(H,15,16)
InChIKeyTURQAUQPDJDLGU-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.47
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-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
(2R)-2-(2-fluoroanilino)-N-naphthalen-1-ylpropanamide
CID 7872612
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
3-amino-4-(naphthalen-1-ylamino)-4-oxobutanoic acid
CID 64896628
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 167890403
naphthalen-1-ylurea;hydrochloride
CID 141142203
(2S)-2-bromo-3,3-dimethyl-N-[3-(naphthalen-1-ylamino)-3-oxopropyl]butanamide
CID 40803252

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-fluoro-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-bromo-2-fluoro-N-naphthalen-1-ylacetamide (CID 163361767) is 2-bromo-2-fluoro-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-bromo-2-fluoro-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-bromo-2-fluoro-N-naphthalen-1-ylacetamide is O=C(Nc1cccc2ccccc12)C(F)Br.
What is the InChIKey of 2-bromo-2-fluoro-N-naphthalen-1-ylacetamide?
The InChIKey is TURQAUQPDJDLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c13-11(14)12(16)15-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,(H,15,16).
What are the key properties of 2-bromo-2-fluoro-N-naphthalen-1-ylacetamide?
2-bromo-2-fluoro-N-naphthalen-1-ylacetamide has a molecular weight of 282.11 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-fluoro-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 163361767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).