N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide

C13H17Br2NO3 — CID 114010988

IUPACN-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide
SMILESCCC(CBr)(CBr)NC(=O)c1cccc(OC)c1O
InChIInChI=1S/C13H17Br2NO3/c1-3-13(7-14,8-15)16-12(18)9-5-4-6-10(19-2)11(9)17/h4-6,17H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyRRLSVGGLDUGFBN-UHFFFAOYSA-N
MW395.09 g/mol
LogP3.07
Rot. Bonds6

About N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide

N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide (PubChem CID 114010988) has the molecular formula C13H17Br2NO3 and a molecular weight of 395.09 g/mol. Its IUPAC name is N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide
PubChem CID114010988
Molecular FormulaC13H17Br2NO3
Molecular Weight395.09 g/mol
Exact Mass392.96
IUPAC NameN-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide
SMILESCCC(CBr)(CBr)NC(=O)c1cccc(OC)c1O
InChIInChI=1S/C13H17Br2NO3/c1-3-13(7-14,8-15)16-12(18)9-5-4-6-10(19-2)11(9)17/h4-6,17H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyRRLSVGGLDUGFBN-UHFFFAOYSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.09
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide
CID 114153212
4-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methoxybenzamide
CID 114010993
N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61119582
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 107867903
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-fluorobenzamide
CID 107868190
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-methoxythiophene-2-carboxamide
CID 107867966
N-[3-(bromomethyl)pentan-3-yl]-3-methoxypyridine-4-carboxamide
CID 105064569
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-chloro-2-fluorobenzamide
CID 107868066
N-[3-(bromomethyl)pentan-3-yl]-2-ethylbenzamide
CID 113275780
2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
CID 24773714
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501

Frequently Asked Questions

What is the IUPAC name of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide (CID 114010988) is N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide is CCC(CBr)(CBr)NC(=O)c1cccc(OC)c1O.
What is the InChIKey of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide?
The InChIKey is RRLSVGGLDUGFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO3/c1-3-13(7-14,8-15)16-12(18)9-5-4-6-10(19-2)11(9)17/h4-6,17H,3,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide?
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide has a molecular weight of 395.09 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 114010988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).