3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide

C13H9Cl2NO3 — CID 64788669

IUPAC3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H9Cl2NO3/c14-9-3-2-8(6-12(9)18)16-13(19)7-1-4-11(17)10(15)5-7/h1-6,17-18H,(H,16,19)
InChIKeyQPDSPBRWWCWBAT-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.66
Rot. Bonds2

About 3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide

3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide (PubChem CID 64788669) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.13 g/mol. Its IUPAC name is 3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
PubChem CID64788669
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC Name3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H9Cl2NO3/c14-9-3-2-8(6-12(9)18)16-13(19)7-1-4-11(17)10(15)5-7/h1-6,17-18H,(H,16,19)
InChIKeyQPDSPBRWWCWBAT-UHFFFAOYSA-N
XLogP3.66
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide
CID 107953628
N-(3-acetylphenyl)-3-chloro-4-hydroxybenzamide
CID 24710986
3-chloro-4-hydroxy-N-thiophen-3-ylbenzamide
CID 64988130
3-chloro-4-hydroxy-N-(4-methylsulfonylphenyl)benzamide
CID 28518831
3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 107972808
6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 113226989
3-chloro-N-(3-chloro-5-fluorophenyl)-4-hydroxybenzamide
CID 107366859
N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide
CID 114307203
2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
CID 4636309
N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide
CID 64786524
3-chloro-4-hydroxybenzohydrazide
CID 10954268

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide (CID 64788669) is 3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide is O=C(Nc1ccc(Cl)c(O)c1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide?
The InChIKey is QPDSPBRWWCWBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-9-3-2-8(6-12(9)18)16-13(19)7-1-4-11(17)10(15)5-7/h1-6,17-18H,(H,16,19).
What are the key properties of 3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide?
3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide has a molecular weight of 298.13 g/mol, XLogP of 3.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide is sourced from PubChem (CID 64788669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).