2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide

C13H8BrCl2NO2 — CID 107989011

IUPAC2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H8BrCl2NO2/c14-10-5-7(15)1-3-9(10)13(19)17-12-4-2-8(18)6-11(12)16/h1-6,18H,(H,17,19)
InChIKeyYEAQNYMMKMYWGF-UHFFFAOYSA-N
MW361.02 g/mol
LogP4.71
Rot. Bonds2

About 2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide

2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide (PubChem CID 107989011) has the molecular formula C13H8BrCl2NO2 and a molecular weight of 361.02 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide
PubChem CID107989011
Molecular FormulaC13H8BrCl2NO2
Molecular Weight361.02 g/mol
Exact Mass358.91
IUPAC Name2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H8BrCl2NO2/c14-10-5-7(15)1-3-9(10)13(19)17-12-4-2-8(18)6-11(12)16/h1-6,18H,(H,17,19)
InChIKeyYEAQNYMMKMYWGF-UHFFFAOYSA-N
XLogP4.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.02
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide
CID 114024506
2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
2-bromo-4-chloro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 107988108
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
2-amino-N-(2,4-dichlorophenyl)-5-hydroxybenzamide
CID 107073840
N-(2-bromo-5-chlorophenyl)-2-chloro-5-hydroxybenzamide
CID 106501145
5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 65307125
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64788114
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
N-(2-chloro-4-hydroxyphenyl)-2,4-difluorobenzamide
CID 64786772

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide (CID 107989011) is 2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide is O=C(Nc1ccc(O)cc1Cl)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide?
The InChIKey is YEAQNYMMKMYWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2NO2/c14-10-5-7(15)1-3-9(10)13(19)17-12-4-2-8(18)6-11(12)16/h1-6,18H,(H,17,19).
What are the key properties of 2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide?
2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide has a molecular weight of 361.02 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 107989011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).