5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide

C15H12BrCl2NO2 — CID 35977920

IUPAC5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C15H12BrCl2NO2/c1-19(8-9-3-2-4-12(17)14(9)18)15(21)11-7-10(16)5-6-13(11)20/h2-7,20H,8H2,1H3
InChIKeyFQRPONONDOHPMK-UHFFFAOYSA-N
MW389.08 g/mol
LogP4.73
Rot. Bonds3

About 5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide

5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide (PubChem CID 35977920) has the molecular formula C15H12BrCl2NO2 and a molecular weight of 389.08 g/mol. Its IUPAC name is 5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide
PubChem CID35977920
Molecular FormulaC15H12BrCl2NO2
Molecular Weight389.08 g/mol
Exact Mass386.94
IUPAC Name5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C15H12BrCl2NO2/c1-19(8-9-3-2-4-12(17)14(9)18)15(21)11-7-10(16)5-6-13(11)20/h2-7,20H,8H2,1H3
InChIKeyFQRPONONDOHPMK-UHFFFAOYSA-N
XLogP4.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.08
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79532591
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160
5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47268472
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
N-[(2,3-dichlorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717353
5-bromo-2-hydroxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 43016464
N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 79692774
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420
5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625917

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide?
The IUPAC name of 5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide (CID 35977920) is 5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide is CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide?
The InChIKey is FQRPONONDOHPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO2/c1-19(8-9-3-2-4-12(17)14(9)18)15(21)11-7-10(16)5-6-13(11)20/h2-7,20H,8H2,1H3.
What are the key properties of 5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide?
5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide has a molecular weight of 389.08 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 35977920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).