2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide

C16H17BrN2O2 — CID 107736855

IUPAC2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
SMILESCCN(C(=O)c1cc(Br)ccc1N)c1cc(O)ccc1C
InChIInChI=1S/C16H17BrN2O2/c1-3-19(15-9-12(20)6-4-10(15)2)16(21)13-8-11(17)5-7-14(13)18/h4-9,20H,3,18H2,1-2H3
InChIKeyOHZZOKKBRNRRKG-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.71
Rot. Bonds3

About 2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide

2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide (PubChem CID 107736855) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
PubChem CID107736855
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
SMILESCCN(C(=O)c1cc(Br)ccc1N)c1cc(O)ccc1C
InChIInChI=1S/C16H17BrN2O2/c1-3-19(15-9-12(20)6-4-10(15)2)16(21)13-8-11(17)5-7-14(13)18/h4-9,20H,3,18H2,1-2H3
InChIKeyOHZZOKKBRNRRKG-UHFFFAOYSA-N
XLogP3.71
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 107733112
2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28739954
3-bromo-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107953613
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylfuran-3-carboxamide
CID 28740049
5-chloro-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28516961
N-ethyl-N-(5-hydroxy-2-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772781
4-(aminomethyl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107733330
N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide
CID 28978793
N-ethyl-N-(5-hydroxy-2-methylphenyl)pyrimidine-5-carboxamide
CID 102922038
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477100
N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 28780674
3-[2-(aminomethyl)-4-bromo-N-ethylanilino]-4-methylphenol
CID 107733634

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide?
The IUPAC name of 2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide (CID 107736855) is 2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide?
The canonical SMILES for 2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide is CCN(C(=O)c1cc(Br)ccc1N)c1cc(O)ccc1C.
What is the InChIKey of 2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide?
The InChIKey is OHZZOKKBRNRRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-19(15-9-12(20)6-4-10(15)2)16(21)13-8-11(17)5-7-14(13)18/h4-9,20H,3,18H2,1-2H3.
What are the key properties of 2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide?
2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide has a molecular weight of 349.23 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide is sourced from PubChem (CID 107736855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).