N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide

C18H22BrNO — CID 106356124

IUPACN-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide
SMILESCC(C)(C)C(CCBr)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22BrNO/c1-18(2,3)16(10-11-19)20-17(21)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,16H,10-11H2,1-3H3,(H,20,21)
InChIKeyZGJLUIBCTQVPIR-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.77
Rot. Bonds4

About N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide

N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide (PubChem CID 106356124) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide
PubChem CID106356124
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide
SMILESCC(C)(C)C(CCBr)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22BrNO/c1-18(2,3)16(10-11-19)20-17(21)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,16H,10-11H2,1-3H3,(H,20,21)
InChIKeyZGJLUIBCTQVPIR-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.77
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-(1-bromo-4,4-dimethylpentan-3-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 106356245
N-(1-bromopropan-2-yl)naphthalene-2-carboxamide
CID 114310701
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-propoxybenzamide
CID 106356268
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide
CID 106356170
N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide
CID 114316931
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-indole-6-carboxamide
CID 106353350
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
N-(1-bromo-4,4-dimethylpentan-3-yl)pyrimidine-5-carboxamide
CID 106356037
ethane;naphthalene-2-carbohydrazide
CID 91601372
(2S)-3-hydroxy-3-methyl-2-(naphthalene-2-carbonylamino)butanoic acid
CID 70079088
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106356172
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide (CID 106356124) is N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide is CC(C)(C)C(CCBr)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide?
The InChIKey is ZGJLUIBCTQVPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-18(2,3)16(10-11-19)20-17(21)15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,16H,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide?
N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide has a molecular weight of 348.28 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 106356124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).