N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide

C16H18BrNO — CID 114316931

IUPACN-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide
SMILESCC(CCBr)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H18BrNO/c1-12(8-9-17)11-18-16(19)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12H,8-9,11H2,1H3,(H,18,19)
InChIKeyLGFWUABCRDEJQE-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.99
Rot. Bonds5

About N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide

N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide (PubChem CID 114316931) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide
PubChem CID114316931
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC NameN-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide
SMILESCC(CCBr)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H18BrNO/c1-12(8-9-17)11-18-16(19)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12H,8-9,11H2,1H3,(H,18,19)
InChIKeyLGFWUABCRDEJQE-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-methylbutyl)-3-hydroxy-4-methylbenzamide
CID 114316818
N-(4-bromo-2-methylbutyl)-3-(difluoromethoxy)benzamide
CID 114316820
6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
CID 113292807
N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
CID 106288101
N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 113276116
N-(4-bromo-2-methylbutyl)-3,5-dimethoxybenzamide
CID 114316944
N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide
CID 106356124
N-(1-bromopropan-2-yl)naphthalene-2-carboxamide
CID 114310701
N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
CID 114316832
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
N-(4-bromo-2-methylbutyl)-4-methylsulfonylbenzamide
CID 113276150
N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 111461088

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide (CID 114316931) is N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide is CC(CCBr)CNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide?
The InChIKey is LGFWUABCRDEJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12(8-9-17)11-18-16(19)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12H,8-9,11H2,1H3,(H,18,19).
What are the key properties of N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide?
N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide has a molecular weight of 320.23 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide is sourced from PubChem (CID 114316931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).