6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide

C16H18BrNO3 — CID 115283349

IUPAC6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H18BrNO3/c1-18(9-15(19)10-21-2)16(20)13-4-3-12-8-14(17)6-5-11(12)7-13/h3-8,15,19H,9-10H2,1-2H3
InChIKeyHTHOSRHNVDJKFL-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.68
Rot. Bonds5

About 6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide

6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide (PubChem CID 115283349) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
PubChem CID115283349
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H18BrNO3/c1-18(9-15(19)10-21-2)16(20)13-4-3-12-8-14(17)6-5-11(12)7-13/h3-8,15,19H,9-10H2,1-2H3
InChIKeyHTHOSRHNVDJKFL-UHFFFAOYSA-N
XLogP2.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methylbenzamide
CID 3737830
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide
CID 54993384
6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide
CID 115283107
3-amino-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994745
3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103892640
N-(2-amino-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 63754922
6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide
CID 113292794
4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63213865
N-(2-hydroxy-3-methoxypropyl)-N,6-dimethylpyridine-3-carboxamide
CID 54993418
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
CID 115354553
4-bromo-N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzamide
CID 7318127
N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-carboxamide
CID 104627104

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide (CID 115283349) is 6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide is COCC(O)CN(C)C(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide?
The InChIKey is HTHOSRHNVDJKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-18(9-15(19)10-21-2)16(20)13-4-3-12-8-14(17)6-5-11(12)7-13/h3-8,15,19H,9-10H2,1-2H3.
What are the key properties of 6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide?
6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 115283349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).