N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide

C17H17BrN2O3 — CID 167781208

IUPACN-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide
SMILESNC(=O)CN(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1O
InChIInChI=1S/C17H17BrN2O3/c18-14-7-6-13(15(21)9-14)8-17(23)20(11-16(19)22)10-12-4-2-1-3-5-12/h1-7,9,21H,8,10-11H2,(H2,19,22)
InChIKeyVCXIGLWIQVGOBE-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.21
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide

N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide (PubChem CID 167781208) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide
PubChem CID167781208
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide
SMILESNC(=O)CN(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1O
InChIInChI=1S/C17H17BrN2O3/c18-14-7-6-13(15(21)9-14)8-17(23)20(11-16(19)22)10-12-4-2-1-3-5-12/h1-7,9,21H,8,10-11H2,(H2,19,22)
InChIKeyVCXIGLWIQVGOBE-UHFFFAOYSA-N
XLogP2.21
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide (CID 167781208) is N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide is NC(=O)CN(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide?
The InChIKey is VCXIGLWIQVGOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c18-14-7-6-13(15(21)9-14)8-17(23)20(11-16(19)22)10-12-4-2-1-3-5-12/h1-7,9,21H,8,10-11H2,(H2,19,22).
What are the key properties of N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide?
N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide has a molecular weight of 377.24 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-benzyl-2-(4-bromo-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 167781208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).