N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide

C16H18BrNO2 — CID 114315986

IUPACN-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide
SMILESCC(C)C(CBr)NC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C16H18BrNO2/c1-10(2)14(9-17)18-16(20)13-8-7-11-5-3-4-6-12(11)15(13)19/h3-8,10,14,19H,9H2,1-2H3,(H,18,20)
InChIKeyRUXKNMBPKAVTTH-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.69
Rot. Bonds4

About N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide

N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide (PubChem CID 114315986) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide
PubChem CID114315986
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC NameN-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide
SMILESCC(C)C(CBr)NC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C16H18BrNO2/c1-10(2)14(9-17)18-16(20)13-8-7-11-5-3-4-6-12(11)15(13)19/h3-8,10,14,19H,9H2,1-2H3,(H,18,20)
InChIKeyRUXKNMBPKAVTTH-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
CID 114315987
N-(1-bromo-3-methylbutan-2-yl)-2-iodobenzamide
CID 114316113
2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid
CID 43469598
N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide
CID 106228601
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
CID 106856169
2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid
CID 150097816
1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide
CID 111697244
N-(2-acetamidophenyl)-1-hydroxynaphthalene-2-carboxamide
CID 5133649
N-(1-bromo-3-methylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82891279
N-(5-bromopentan-2-yl)naphthalene-1-carboxamide
CID 113276035
methyl 2-bromo-3-[(1-hydroxynaphthalene-2-carbonyl)amino]propanoate
CID 103492634

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide (CID 114315986) is N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide is CC(C)C(CBr)NC(=O)c1ccc2ccccc2c1O.
What is the InChIKey of N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is RUXKNMBPKAVTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-10(2)14(9-17)18-16(20)13-8-7-11-5-3-4-6-12(11)15(13)19/h3-8,10,14,19H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide?
N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 114315986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).