3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide

C13H8Cl3NO2 — CID 64788114

IUPAC3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8Cl3NO2/c14-8-3-7(4-9(15)5-8)13(19)17-12-2-1-10(18)6-11(12)16/h1-6,18H,(H,17,19)
InChIKeyPCWRAIALTRNAMG-UHFFFAOYSA-N
MW316.57 g/mol
LogP4.60
Rot. Bonds2

About 3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide

3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide (PubChem CID 64788114) has the molecular formula C13H8Cl3NO2 and a molecular weight of 316.57 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
PubChem CID64788114
Molecular FormulaC13H8Cl3NO2
Molecular Weight316.57 g/mol
Exact Mass314.96
IUPAC Name3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8Cl3NO2/c14-8-3-7(4-9(15)5-8)13(19)17-12-2-1-10(18)6-11(12)16/h1-6,18H,(H,17,19)
InChIKeyPCWRAIALTRNAMG-UHFFFAOYSA-N
XLogP4.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.57
LogP ≤ 54.60
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

4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64786775
3-chloro-N-(2-chloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 64787162
3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide
CID 17133480
2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 107989011
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide
CID 81284263
N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 86605166
2,3-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64787158
N-(2-chloro-4-hydroxyphenyl)-1H-indole-5-carboxamide
CID 64786778
N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 64788897
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide (CID 64788114) is 3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide is O=C(Nc1ccc(O)cc1Cl)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide?
The InChIKey is PCWRAIALTRNAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO2/c14-8-3-7(4-9(15)5-8)13(19)17-12-2-1-10(18)6-11(12)16/h1-6,18H,(H,17,19).
What are the key properties of 3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide?
3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide has a molecular weight of 316.57 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 64788114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).