6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide

C17H20BrNO2 — CID 107199939

IUPAC6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide
SMILESCN(CCCCCO)C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H20BrNO2/c1-19(9-3-2-4-10-20)17(21)15-6-5-14-12-16(18)8-7-13(14)11-15/h5-8,11-12,20H,2-4,9-10H2,1H3
InChIKeySZCQOWLZVZMDTQ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.84
Rot. Bonds6

About 6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide

6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide (PubChem CID 107199939) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide
PubChem CID107199939
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide
SMILESCN(CCCCCO)C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H20BrNO2/c1-19(9-3-2-4-10-20)17(21)15-6-5-14-12-16(18)8-7-13(14)11-15/h5-8,11-12,20H,2-4,9-10H2,1H3
InChIKeySZCQOWLZVZMDTQ-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide
CID 115353690
6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide
CID 113292794
3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300854
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 107199978
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
6-bromo-N-[(3-bromocyclobutyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 115354532
N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-6-carboxamide
CID 107199269
3-carbamothioyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107199741
N-(5-hydroxypentyl)-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 107203154
2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
CID 107199083
6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 115283349

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide (CID 107199939) is 6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide is CN(CCCCCO)C(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide?
The InChIKey is SZCQOWLZVZMDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-19(9-3-2-4-10-20)17(21)15-6-5-14-12-16(18)8-7-13(14)11-15/h5-8,11-12,20H,2-4,9-10H2,1H3.
What are the key properties of 6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide?
6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 107199939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).