6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide

C15H15Br2NO2 — CID 115354553

IUPAC6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
SMILESCOCC(Br)CNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H15Br2NO2/c1-20-9-14(17)8-18-15(19)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-7,14H,8-9H2,1H3,(H,18,19)
InChIKeyOYMBMUQMRNXGJR-UHFFFAOYSA-N
MW401.10 g/mol
LogP3.74
Rot. Bonds5

About 6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide

6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide (PubChem CID 115354553) has the molecular formula C15H15Br2NO2 and a molecular weight of 401.10 g/mol. Its IUPAC name is 6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
PubChem CID115354553
Molecular FormulaC15H15Br2NO2
Molecular Weight401.10 g/mol
Exact Mass398.95
IUPAC Name6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
SMILESCOCC(Br)CNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H15Br2NO2/c1-20-9-14(17)8-18-15(19)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-7,14H,8-9H2,1H3,(H,18,19)
InChIKeyOYMBMUQMRNXGJR-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 53.74
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

methyl 2-bromo-3-[(6-bromonaphthalene-2-carbonyl)amino]propanoate
CID 103492380
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023
N-(2-bromo-3-methoxypropyl)-1,3-benzodioxole-5-carboxamide
CID 114309908
6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
CID 113292807
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide
CID 115354259
N-(2-bromo-3-methoxypropyl)-4-ethylbenzamide
CID 114309833
N-(2-bromo-3-methoxypropyl)-3-iodobenzamide
CID 114310082
6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide
CID 106156588
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide
CID 115353870
N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide
CID 114310033

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide (CID 115354553) is 6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide is COCC(Br)CNC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide?
The InChIKey is OYMBMUQMRNXGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2/c1-20-9-14(17)8-18-15(19)12-3-2-11-7-13(16)5-4-10(11)6-12/h2-7,14H,8-9H2,1H3,(H,18,19).
What are the key properties of 6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide?
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide has a molecular weight of 401.10 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 115354553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).