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

C15H15Br2NO — CID 113292807

IUPAC6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
SMILESCC(CBr)CNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H15Br2NO/c1-10(8-16)9-18-15(19)13-3-2-12-7-14(17)5-4-11(12)6-13/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyOWRJWASBZUWIGR-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.36
Rot. Bonds4

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

6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide (PubChem CID 113292807) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
PubChem CID113292807
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
SMILESCC(CBr)CNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H15Br2NO/c1-10(8-16)9-18-15(19)13-3-2-12-7-14(17)5-4-11(12)6-13/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyOWRJWASBZUWIGR-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.36
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

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
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide
CID 115353870
methyl 2-bromo-3-[(6-bromonaphthalene-2-carbonyl)amino]propanoate
CID 103492380
N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
CID 114313406
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
CID 115354553
N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide
CID 114316931
N-(3-bromo-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114313445
6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 115354549
N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide
CID 114313254

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide (CID 113292807) is 6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide is CC(CBr)CNC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide?
The InChIKey is OWRJWASBZUWIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-10(8-16)9-18-15(19)13-3-2-12-7-14(17)5-4-11(12)6-13/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of 6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide?
6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide has a molecular weight of 385.10 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 113292807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).