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

C13H8Cl3NO2 — CID 5119664

IUPAC4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl3NO2/c14-8-3-1-7(2-4-8)13(19)17-9-5-10(15)12(18)11(16)6-9/h1-6,18H,(H,17,19)
InChIKeyRNQZDYVLHWKNSN-UHFFFAOYSA-N
MW316.57 g/mol
LogP4.60
Rot. Bonds2

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

4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide (PubChem CID 5119664) has the molecular formula C13H8Cl3NO2 and a molecular weight of 316.57 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
PubChem CID5119664
Molecular FormulaC13H8Cl3NO2
Molecular Weight316.57 g/mol
Exact Mass314.96
IUPAC Name4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl3NO2/c14-8-3-1-7(2-4-8)13(19)17-9-5-10(15)12(18)11(16)6-9/h1-6,18H,(H,17,19)
InChIKeyRNQZDYVLHWKNSN-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

3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 107679537
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide
CID 82881371
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide
CID 108808181
3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 169122474
5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-2-methylbenzamide
CID 82885279
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 82885015
N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 82881373
4-methyl-N-(3,4,5-trichlorophenyl)benzamide
CID 18739044

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide?
The IUPAC name of 4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide (CID 5119664) is 4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide?
The InChIKey is RNQZDYVLHWKNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO2/c14-8-3-1-7(2-4-8)13(19)17-9-5-10(15)12(18)11(16)6-9/h1-6,18H,(H,17,19).
What are the key properties of 4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide?
4-chloro-N-(3,5-dichloro-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 4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 5119664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).