N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide

C16H15Br2NO2 — CID 103882425

IUPACN-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(Br)cc1Br)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H15Br2NO2/c17-13-6-7-14(15(18)10-13)16(21)19(8-9-20)11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2
InChIKeyIDMNYSNDBOWJQZ-UHFFFAOYSA-N
MW413.11 g/mol
LogP3.85
Rot. Bonds5

About N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide

N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide (PubChem CID 103882425) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
PubChem CID103882425
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC NameN-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(Br)cc1Br)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H15Br2NO2/c17-13-6-7-14(15(18)10-13)16(21)19(8-9-20)11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2
InChIKeyIDMNYSNDBOWJQZ-UHFFFAOYSA-N
XLogP3.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103766995
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide
CID 114375585
N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 78796018
4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 61107477
N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 47002987
N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62957970
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 65309508
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952088
N-benzyl-N-(2-hydroxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107027966

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide?
The IUPAC name of N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide (CID 103882425) is N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide is O=C(c1ccc(Br)cc1Br)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide?
The InChIKey is IDMNYSNDBOWJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c17-13-6-7-14(15(18)10-13)16(21)19(8-9-20)11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2.
What are the key properties of N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide?
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide has a molecular weight of 413.11 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 103882425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).