3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide

C15H12Cl3NO4 — CID 5228987

IUPAC3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)cc1OC
InChIInChI=1S/C15H12Cl3NO4/c1-22-10-4-3-7(5-11(10)23-2)15(21)19-9-6-8(16)14(20)13(18)12(9)17/h3-6,20H,1-2H3,(H,19,21)
InChIKeyXGODXUOAZFTBQI-UHFFFAOYSA-N
MW376.62 g/mol
LogP4.62
Rot. Bonds4

About 3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide

3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide (PubChem CID 5228987) has the molecular formula C15H12Cl3NO4 and a molecular weight of 376.62 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
PubChem CID5228987
Molecular FormulaC15H12Cl3NO4
Molecular Weight376.62 g/mol
Exact Mass374.98
IUPAC Name3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)cc1OC
InChIInChI=1S/C15H12Cl3NO4/c1-22-10-4-3-7(5-11(10)23-2)15(21)19-9-6-8(16)14(20)13(18)12(9)17/h3-6,20H,1-2H3,(H,19,21)
InChIKeyXGODXUOAZFTBQI-UHFFFAOYSA-N
XLogP4.62
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.62
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5209648
3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5209652
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
[4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate
CID 2993167
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955
N-(2,5-dichloro-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 104727379
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 87004486
3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide
CID 23968766
N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986928
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
CID 1296960
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide (CID 5228987) is 3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide is COc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide?
The InChIKey is XGODXUOAZFTBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO4/c1-22-10-4-3-7(5-11(10)23-2)15(21)19-9-6-8(16)14(20)13(18)12(9)17/h3-6,20H,1-2H3,(H,19,21).
What are the key properties of 3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide?
3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide has a molecular weight of 376.62 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 5228987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).