N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide

C17H18BrNO3 — CID 78796018

IUPACN-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)N(CCO)Cc2ccccc2)c1
InChIInChI=1S/C17H18BrNO3/c1-22-14-7-8-16(18)15(11-14)17(21)19(9-10-20)12-13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3
InChIKeyZPSSCXMAWXMHMS-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.09
Rot. Bonds6

About N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide

N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide (PubChem CID 78796018) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
PubChem CID78796018
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC NameN-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)N(CCO)Cc2ccccc2)c1
InChIInChI=1S/C17H18BrNO3/c1-22-14-7-8-16(18)15(11-14)17(21)19(9-10-20)12-13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3
InChIKeyZPSSCXMAWXMHMS-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 61026260
N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78855120
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
CID 103882425
N-benzyl-2-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103766995
N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide
CID 114375585
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055
2-bromo-N,N-bis(cyanomethyl)-5-methoxybenzamide
CID 60659165
2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 60636105
2-bromo-N,N-diethyl-5-phenylmethoxybenzamide
CID 156880220
N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 110890145
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide?
The IUPAC name of N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide (CID 78796018) is N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide.
What is the SMILES notation for N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide?
The canonical SMILES for N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)N(CCO)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide?
The InChIKey is ZPSSCXMAWXMHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-22-14-7-8-16(18)15(11-14)17(21)19(9-10-20)12-13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3.
What are the key properties of N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide?
N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide has a molecular weight of 364.24 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide is sourced from PubChem (CID 78796018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).