2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide

C14H10Cl3NO3 — CID 29286272

IUPAC2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1O
InChIInChI=1S/C14H10Cl3NO3/c1-21-12-4-2-3-7(13(12)19)14(20)18-11-6-9(16)8(15)5-10(11)17/h2-6,19H,1H3,(H,18,20)
InChIKeyCKIKVQWKWULSPC-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.61
Rot. Bonds3

About 2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide

2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 29286272) has the molecular formula C14H10Cl3NO3 and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID29286272
Molecular FormulaC14H10Cl3NO3
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1O
InChIInChI=1S/C14H10Cl3NO3/c1-21-12-4-2-3-7(13(12)19)14(20)18-11-6-9(16)8(15)5-10(11)17/h2-6,19H,1H3,(H,18,20)
InChIKeyCKIKVQWKWULSPC-UHFFFAOYSA-N
XLogP4.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichloro-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 115761010
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide
CID 107791061
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 24703596
2-hydroxy-N-(3-hydroxyphenyl)-3-methoxybenzamide
CID 28739843
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 24684132
2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
CID 45051392
2-(2-methoxyphenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 3375078
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-(5-chloro-2-pyridinyl)-2-hydroxy-3-methoxybenzamide
CID 28831584

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide (CID 29286272) is 2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide is COc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is CKIKVQWKWULSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO3/c1-21-12-4-2-3-7(13(12)19)14(20)18-11-6-9(16)8(15)5-10(11)17/h2-6,19H,1H3,(H,18,20).
What are the key properties of 2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide?
2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 346.60 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 29286272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).