N-naphthalen-2-ylcarbamoyl bromide

C11H8BrNO — CID 115193346

IUPACN-naphthalen-2-ylcarbamoyl bromide
SMILESO=C(Br)Nc1ccc2ccccc2c1
InChIInChI=1S/C11H8BrNO/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,13,14)
InChIKeyOJZLWTSQIPTXDS-UHFFFAOYSA-N
MW250.10 g/mol
LogP3.77
Rot. Bonds1

About N-naphthalen-2-ylcarbamoyl bromide

N-naphthalen-2-ylcarbamoyl bromide (PubChem CID 115193346) has the molecular formula C11H8BrNO and a molecular weight of 250.10 g/mol. Its IUPAC name is N-naphthalen-2-ylcarbamoyl bromide.

Molecular Properties

Compound NameN-naphthalen-2-ylcarbamoyl bromide
PubChem CID115193346
Molecular FormulaC11H8BrNO
Molecular Weight250.10 g/mol
Exact Mass248.98
IUPAC NameN-naphthalen-2-ylcarbamoyl bromide
SMILESO=C(Br)Nc1ccc2ccccc2c1
InChIInChI=1S/C11H8BrNO/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,13,14)
InChIKeyOJZLWTSQIPTXDS-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 53.77
H-Bond Donors ≤ 51
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

1-methyl-3-naphthalen-2-ylurea
CID 3454681
2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663
1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea
CID 108895519
2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide
CID 5018859
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
[3-(naphthalen-2-ylamino)-3-oxopropyl]azanium
CID 7021427
4-(naphthalen-2-ylamino)-4-oxobut-2-enoic acid
CID 740391
(Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one
CID 7335849
2,3,3-trifluoro-N-naphthalen-2-ylpropanamide
CID 175396381
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-ylcarbamoyl bromide?
The IUPAC name of N-naphthalen-2-ylcarbamoyl bromide (CID 115193346) is N-naphthalen-2-ylcarbamoyl bromide.
What is the SMILES notation for N-naphthalen-2-ylcarbamoyl bromide?
The canonical SMILES for N-naphthalen-2-ylcarbamoyl bromide is O=C(Br)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-ylcarbamoyl bromide?
The InChIKey is OJZLWTSQIPTXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,13,14).
What are the key properties of N-naphthalen-2-ylcarbamoyl bromide?
N-naphthalen-2-ylcarbamoyl bromide has a molecular weight of 250.10 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-ylcarbamoyl bromide is sourced from PubChem (CID 115193346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).