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

C16H19BrN2O — CID 115354259

IUPAC6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide
SMILESCNCC(C)CNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H19BrN2O/c1-11(9-18-2)10-19-16(20)14-4-3-13-8-15(17)6-5-12(13)7-14/h3-8,11,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyRDIRNSAQIBILGC-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.19
Rot. Bonds5

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

6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide (PubChem CID 115354259) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide
PubChem CID115354259
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide
SMILESCNCC(C)CNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H19BrN2O/c1-11(9-18-2)10-19-16(20)14-4-3-13-8-15(17)6-5-12(13)7-14/h3-8,11,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyRDIRNSAQIBILGC-UHFFFAOYSA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
CID 113292807
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
3-bromo-4-fluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 99849695
methyl 2-bromo-3-[(6-bromonaphthalene-2-carbonyl)amino]propanoate
CID 103492380
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
CID 115354553
3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325194
3,4-difluoro-N-[(2R)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325195
4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81479378
6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 115354549

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide (CID 115354259) is 6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide is CNCC(C)CNC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide?
The InChIKey is RDIRNSAQIBILGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11(9-18-2)10-19-16(20)14-4-3-13-8-15(17)6-5-12(13)7-14/h3-8,11,18H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide?
6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide has a molecular weight of 335.25 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 115354259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).