N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide

C14H21BrN2O2 — CID 104872338

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H21BrN2O2/c1-9(2)7-14(3,8-16)17-13(19)11-6-10(15)4-5-12(11)18/h4-6,9,18H,7-8,16H2,1-3H3,(H,17,19)
InChIKeyWQZJAPFXNVTRGX-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.65
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide (PubChem CID 104872338) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
PubChem CID104872338
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H21BrN2O2/c1-9(2)7-14(3,8-16)17-13(19)11-6-10(15)4-5-12(11)18/h4-6,9,18H,7-8,16H2,1-3H3,(H,17,19)
InChIKeyWQZJAPFXNVTRGX-UHFFFAOYSA-N
XLogP2.65
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide
CID 107725269
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4-dibromobenzamide
CID 107940162
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride
CID 119598613
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369688
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
CID 81486385
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide
CID 107730428
5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107729906
N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide
CID 103807196
N-(1-amino-2,4-dimethylpentan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 115309726
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119599263
N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide
CID 81485460

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide (CID 104872338) is N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide is CC(C)CC(C)(CN)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide?
The InChIKey is WQZJAPFXNVTRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-9(2)7-14(3,8-16)17-13(19)11-6-10(15)4-5-12(11)18/h4-6,9,18H,7-8,16H2,1-3H3,(H,17,19).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide has a molecular weight of 329.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 104872338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).