4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide

C13H8Cl3NO2 — CID 28534866

IUPAC4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(O)cc1
InChIInChI=1S/C13H8Cl3NO2/c14-9-5-11(16)12(6-10(9)15)17-13(19)7-1-3-8(18)4-2-7/h1-6,18H,(H,17,19)
InChIKeyCABKUDQDPHUZQC-UHFFFAOYSA-N
MW316.57 g/mol
LogP4.60
Rot. Bonds2

About 4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide

4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 28534866) has the molecular formula C13H8Cl3NO2 and a molecular weight of 316.57 g/mol. Its IUPAC name is 4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID28534866
Molecular FormulaC13H8Cl3NO2
Molecular Weight316.57 g/mol
Exact Mass314.96
IUPAC Name4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(O)cc1
InChIInChI=1S/C13H8Cl3NO2/c14-9-5-11(16)12(6-10(9)15)17-13(19)7-1-3-8(18)4-2-7/h1-6,18H,(H,17,19)
InChIKeyCABKUDQDPHUZQC-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': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 106501235
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide
CID 17133480
4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64786775
3-chloro-N-(2,4,5-trichlorophenyl)benzamide
CID 854431
3-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 3408530
S-(4-hydroxyphenyl) N-(2,4,5-trichlorophenyl)carbamothioate
CID 4200802
4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4936163
N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide
CID 171363826
N-(2-amino-5-chlorophenyl)-4-hydroxybenzamide
CID 18070438
3-chloro-N-(2-chloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 64787162

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide (CID 28534866) is 4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is CABKUDQDPHUZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO2/c14-9-5-11(16)12(6-10(9)15)17-13(19)7-1-3-8(18)4-2-7/h1-6,18H,(H,17,19).
What are the key properties of 4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide?
4-hydroxy-N-(2,4,5-trichlorophenyl)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-hydroxy-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 28534866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).