6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide

C17H20BrNO — CID 115354023

IUPAC6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
SMILESCC(C)C(C)CNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H20BrNO/c1-11(2)12(3)10-19-17(20)15-5-4-14-9-16(18)7-6-13(14)8-15/h4-9,11-12H,10H2,1-3H3,(H,19,20)
InChIKeyYJNRFIWZVVQRMS-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.62
Rot. Bonds4

About 6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide

6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide (PubChem CID 115354023) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
PubChem CID115354023
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
SMILESCC(C)C(C)CNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H20BrNO/c1-11(2)12(3)10-19-17(20)15-5-4-14-9-16(18)7-6-13(14)8-15/h4-9,11-12H,10H2,1-3H3,(H,19,20)
InChIKeyYJNRFIWZVVQRMS-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
CID 113292807
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
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
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
CID 115354553
6-bromo-N-(4-chloro-2-ethylbutyl)naphthalene-2-carboxamide
CID 115354549
3-[(6-bromonaphthalene-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 115353673
5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide
CID 64597105
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 115283084

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide (CID 115354023) is 6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide is CC(C)C(C)CNC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide?
The InChIKey is YJNRFIWZVVQRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11(2)12(3)10-19-17(20)15-5-4-14-9-16(18)7-6-13(14)8-15/h4-9,11-12H,10H2,1-3H3,(H,19,20).
What are the key properties of 6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide?
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide has a molecular weight of 334.26 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide is sourced from PubChem (CID 115354023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).