5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide

C13H9BrClNO2 — CID 53221867

IUPAC5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide
SMILESNC(=O)c1cc(-c2cc(O)cc(Br)c2)ccc1Cl
InChIInChI=1S/C13H9BrClNO2/c14-9-3-8(4-10(17)6-9)7-1-2-12(15)11(5-7)13(16)18/h1-6,17H,(H2,16,18)
InChIKeyBJCJBDYUVPWBSL-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.57
Rot. Bonds2

About 5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide

5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide (PubChem CID 53221867) has the molecular formula C13H9BrClNO2 and a molecular weight of 326.58 g/mol. Its IUPAC name is 5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide.

Molecular Properties

Compound Name5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide
PubChem CID53221867
Molecular FormulaC13H9BrClNO2
Molecular Weight326.58 g/mol
Exact Mass324.95
IUPAC Name5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide
SMILESNC(=O)c1cc(-c2cc(O)cc(Br)c2)ccc1Cl
InChIInChI=1S/C13H9BrClNO2/c14-9-3-8(4-10(17)6-9)7-1-2-12(15)11(5-7)13(16)18/h1-6,17H,(H2,16,18)
InChIKeyBJCJBDYUVPWBSL-UHFFFAOYSA-N
XLogP3.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide
CID 53222149
2-chloro-5-hydroxybenzamide
CID 57422942
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
CID 53228066
5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzonitrile
CID 53221835
2-chloro-5-(3-methylphenyl)benzamide
CID 151079507
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528
2-chloro-5-(4-cyano-3-hydroxyphenyl)benzamide
CID 53220170
5-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 134623243
1-[4-(3-bromo-5-hydroxyphenyl)phenyl]ethanone
CID 53221795
4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
CID 53228064
5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53224202
5-(3-carbamoylphenyl)-2-chlorobenzoic acid
CID 53226144

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide?
The IUPAC name of 5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide (CID 53221867) is 5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide.
What is the SMILES notation for 5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide?
The canonical SMILES for 5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide is NC(=O)c1cc(-c2cc(O)cc(Br)c2)ccc1Cl.
What is the InChIKey of 5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide?
The InChIKey is BJCJBDYUVPWBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO2/c14-9-3-8(4-10(17)6-9)7-1-2-12(15)11(5-7)13(16)18/h1-6,17H,(H2,16,18).
What are the key properties of 5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide?
5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide has a molecular weight of 326.58 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide is sourced from PubChem (CID 53221867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).