6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide

C16H19BrN2O — CID 115353690

IUPAC6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide
SMILESCNCCCN(C)C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H19BrN2O/c1-18-8-3-9-19(2)16(20)14-5-4-13-11-15(17)7-6-12(13)10-14/h4-7,10-11,18H,3,8-9H2,1-2H3
InChIKeyCJRQCIYSMGDLJG-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.28
Rot. Bonds5

About 6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide

6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide (PubChem CID 115353690) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide
PubChem CID115353690
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide
SMILESCNCCCN(C)C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H19BrN2O/c1-18-8-3-9-19(2)16(20)14-5-4-13-11-15(17)7-6-12(13)10-14/h4-7,10-11,18H,3,8-9H2,1-2H3
InChIKeyCJRQCIYSMGDLJG-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.28
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-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide
CID 107199939
6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide
CID 113292794
4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide
CID 107672200
N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide
CID 166591494
6-bromo-N-[(3-bromocyclobutyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 115354532
2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide
CID 114326834
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 114368349
6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 115283349
3-methoxy-N-methyl-N-[3-(methylamino)propyl]-4-nitrobenzamide
CID 104783349
4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 67216049
6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide
CID 115749091

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide (CID 115353690) is 6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide is CNCCCN(C)C(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide?
The InChIKey is CJRQCIYSMGDLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-18-8-3-9-19(2)16(20)14-5-4-13-11-15(17)7-6-12(13)10-14/h4-7,10-11,18H,3,8-9H2,1-2H3.
What are the key properties of 6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide?
6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide has a molecular weight of 335.25 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 115353690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).