N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide

C16H15BrClNO2 — CID 103844027

IUPACN-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(Cl)c(Br)c1)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H15BrClNO2/c17-14-10-13(6-7-15(14)18)16(21)19(8-9-20)11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2
InChIKeyFPRVWHZHQUMZRK-UHFFFAOYSA-N
MW368.66 g/mol
LogP3.74
Rot. Bonds5

About N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide

N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide (PubChem CID 103844027) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
PubChem CID103844027
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC NameN-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(Cl)c(Br)c1)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H15BrClNO2/c17-14-10-13(6-7-15(14)18)16(21)19(8-9-20)11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2
InChIKeyFPRVWHZHQUMZRK-UHFFFAOYSA-N
XLogP3.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide
CID 107993542
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-3,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 103955560
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
N-benzyl-2-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103766995
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013
3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107999420
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
CID 103882425
4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 61107477
N-benzyl-4-bromo-3-chloro-N-(cyanomethyl)benzamide
CID 80973098

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide (CID 103844027) is N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide is O=C(c1ccc(Cl)c(Br)c1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide?
The InChIKey is FPRVWHZHQUMZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c17-14-10-13(6-7-15(14)18)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-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide?
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide has a molecular weight of 368.66 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 103844027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).