3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide

C14H21BrN2O2 — CID 106347949

IUPAC3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1cccc(N)c1Br
InChIInChI=1S/C14H21BrN2O2/c1-14(2,3)11(7-8-18)17-13(19)9-5-4-6-10(16)12(9)15/h4-6,11,18H,7-8,16H2,1-3H3,(H,17,19)
InChIKeyYHPKMKNYFJEHDZ-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.56
Rot. Bonds4

About 3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide

3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (PubChem CID 106347949) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
PubChem CID106347949
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1cccc(N)c1Br
InChIInChI=1S/C14H21BrN2O2/c1-14(2,3)11(7-8-18)17-13(19)9-5-4-6-10(16)12(9)15/h4-6,11,18H,7-8,16H2,1-3H3,(H,17,19)
InChIKeyYHPKMKNYFJEHDZ-UHFFFAOYSA-N
XLogP2.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-ethoxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347855
3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide
CID 113495433
2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347919
3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide
CID 113484652
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide
CID 97339820
2,5-dibromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)thiophene-3-carboxamide
CID 114177005
3-amino-2-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150738
3-amino-2-bromo-N-methylbenzamide
CID 100681188
3-amino-2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 114008008
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxypyridine-3-carboxamide
CID 103940867
4-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106350244

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The IUPAC name of 3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (CID 106347949) is 3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.
What is the SMILES notation for 3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The canonical SMILES for 3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is CC(C)(C)C(CCO)NC(=O)c1cccc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The InChIKey is YHPKMKNYFJEHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-14(2,3)11(7-8-18)17-13(19)9-5-4-6-10(16)12(9)15/h4-6,11,18H,7-8,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide has a molecular weight of 329.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is sourced from PubChem (CID 106347949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).