N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide

C13H12BrNO — CID 115193849

IUPACN-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
SMILESCN(Cc1cccc2ccccc12)C(=O)Br
InChIInChI=1S/C13H12BrNO/c1-15(13(14)16)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKeyOJHRGFPNDOSWBJ-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.79
Rot. Bonds2

About N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide

N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide (PubChem CID 115193849) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
PubChem CID115193849
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC NameN-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
SMILESCN(Cc1cccc2ccccc12)C(=O)Br
InChIInChI=1S/C13H12BrNO/c1-15(13(14)16)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKeyOJHRGFPNDOSWBJ-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
CID 115173236
3-amino-N-methyl-N-(naphthalen-1-ylmethyl)cyclobutane-1-carboxamide
CID 115161636
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 115159561
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 60989846
N-methyl-N-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51113425
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
1-naphthalen-1-ylbutan-2-one
CID 4564544

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide?
The IUPAC name of N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide (CID 115193849) is N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide.
What is the SMILES notation for N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide?
The canonical SMILES for N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide is CN(Cc1cccc2ccccc12)C(=O)Br.
What is the InChIKey of N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide?
The InChIKey is OJHRGFPNDOSWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-15(13(14)16)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3.
What are the key properties of N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide?
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide has a molecular weight of 278.15 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide is sourced from PubChem (CID 115193849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).