6-[bromo(methoxy)methyl]naphthalene-2-carboxamide

C13H12BrNO2 — CID 91429905

IUPAC6-[bromo(methoxy)methyl]naphthalene-2-carboxamide
SMILESCOC(Br)c1ccc2cc(C(N)=O)ccc2c1
InChIInChI=1S/C13H12BrNO2/c1-17-12(14)10-4-2-9-7-11(13(15)16)5-3-8(9)6-10/h2-7,12H,1H3,(H2,15,16)
InChIKeyIKHHVVKRGLCOBP-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.98
Rot. Bonds3

About 6-[bromo(methoxy)methyl]naphthalene-2-carboxamide

6-[bromo(methoxy)methyl]naphthalene-2-carboxamide (PubChem CID 91429905) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 6-[bromo(methoxy)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[bromo(methoxy)methyl]naphthalene-2-carboxamide
PubChem CID91429905
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name6-[bromo(methoxy)methyl]naphthalene-2-carboxamide
SMILESCOC(Br)c1ccc2cc(C(N)=O)ccc2c1
InChIInChI=1S/C13H12BrNO2/c1-17-12(14)10-4-2-9-7-11(13(15)16)5-3-8(9)6-10/h2-7,12H,1H3,(H2,15,16)
InChIKeyIKHHVVKRGLCOBP-UHFFFAOYSA-N
XLogP2.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[bromo(methoxy)methyl]benzamide
CID 57281068
6-[bromo(methoxy)methyl]quinoline-3-carboxamide
CID 123700611
3-methoxynaphthalene-2,7-dicarboxamide
CID 23118701
tetracene-2-carboxamide;hydrobromide
CID 22400124
[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium
CID 169171155
methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 24890587
4-[bromo(hydroxy)methyl]benzamide
CID 142783477
4-(2-amino-1-bromo-2-oxoethyl)benzamide
CID 170359272
4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide
CID 157435592
4-bromo-3-[chloro(methoxy)methyl]benzamide
CID 91430417
4-(1-naphthalen-2-ylethylamino)benzamide
CID 43824500
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866

Frequently Asked Questions

What is the IUPAC name of 6-[bromo(methoxy)methyl]naphthalene-2-carboxamide?
The IUPAC name of 6-[bromo(methoxy)methyl]naphthalene-2-carboxamide (CID 91429905) is 6-[bromo(methoxy)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-[bromo(methoxy)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-[bromo(methoxy)methyl]naphthalene-2-carboxamide is COC(Br)c1ccc2cc(C(N)=O)ccc2c1.
What is the InChIKey of 6-[bromo(methoxy)methyl]naphthalene-2-carboxamide?
The InChIKey is IKHHVVKRGLCOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-17-12(14)10-4-2-9-7-11(13(15)16)5-3-8(9)6-10/h2-7,12H,1H3,(H2,15,16).
What are the key properties of 6-[bromo(methoxy)methyl]naphthalene-2-carboxamide?
6-[bromo(methoxy)methyl]naphthalene-2-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo(methoxy)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 91429905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).