N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide

C16H16BrNO2 — CID 3290123

IUPACN-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccccc1Br)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H16BrNO2/c17-15-9-5-4-8-14(15)16(20)18(10-11-19)12-13-6-2-1-3-7-13/h1-9,19H,10-12H2
InChIKeyDCWIOTKIRXOBGK-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.08
Rot. Bonds5

About N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide

N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide (PubChem CID 3290123) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
PubChem CID3290123
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccccc1Br)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H16BrNO2/c17-15-9-5-4-8-14(15)16(20)18(10-11-19)12-13-6-2-1-3-7-13/h1-9,19H,10-12H2
InChIKeyDCWIOTKIRXOBGK-UHFFFAOYSA-N
XLogP3.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 78796018
N-benzyl-N-(2-hydroxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60653937
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772513
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid
CID 63649912
N-benzyl-2-(4-bromophenoxy)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 78873503
N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62957970
N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 47002987

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide?
The IUPAC name of N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide (CID 3290123) is N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide is O=C(c1ccccc1Br)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide?
The InChIKey is DCWIOTKIRXOBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-15-9-5-4-8-14(15)16(20)18(10-11-19)12-13-6-2-1-3-7-13/h1-9,19H,10-12H2.
What are the key properties of N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide?
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide has a molecular weight of 334.21 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 3290123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).