2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide

C15H12Cl3NO2 — CID 23729699

IUPAC2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide
SMILESCc1cc(C)cc(NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)c1
InChIInChI=1S/C15H12Cl3NO2/c1-7-3-8(2)5-9(4-7)19-15(21)12-13(18)10(16)6-11(17)14(12)20/h3-6,20H,1-2H3,(H,19,21)
InChIKeySZXRZQQHMPRJNE-UHFFFAOYSA-N
MW344.63 g/mol
LogP5.22
Rot. Bonds2

About 2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide

2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide (PubChem CID 23729699) has the molecular formula C15H12Cl3NO2 and a molecular weight of 344.63 g/mol. Its IUPAC name is 2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide.

Molecular Properties

Compound Name2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide
PubChem CID23729699
Molecular FormulaC15H12Cl3NO2
Molecular Weight344.63 g/mol
Exact Mass342.99
IUPAC Name2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide
SMILESCc1cc(C)cc(NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)c1
InChIInChI=1S/C15H12Cl3NO2/c1-7-3-8(2)5-9(4-7)19-15(21)12-13(18)10(16)6-11(17)14(12)20/h3-6,20H,1-2H3,(H,19,21)
InChIKeySZXRZQQHMPRJNE-UHFFFAOYSA-N
XLogP5.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 55.22
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

2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
CID 21431939
2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
N-[4-(3-amino-3-oxopropoxy)phenyl]-2,3,5-trichloro-6-hydroxybenzamide
CID 112842248
5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279655
4-methyl-N-(3,4,5-trichlorophenyl)benzamide
CID 18739044
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
N-(3,5-dichloro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 82884303
N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide
CID 82884847
2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide
CID 112827442
N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 84542762
5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-2-methylbenzamide
CID 82885279
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide?
The IUPAC name of 2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide (CID 23729699) is 2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide.
What is the SMILES notation for 2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide?
The canonical SMILES for 2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide is Cc1cc(C)cc(NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)c1.
What is the InChIKey of 2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide?
The InChIKey is SZXRZQQHMPRJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO2/c1-7-3-8(2)5-9(4-7)19-15(21)12-13(18)10(16)6-11(17)14(12)20/h3-6,20H,1-2H3,(H,19,21).
What are the key properties of 2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide?
2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide has a molecular weight of 344.63 g/mol, XLogP of 5.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-N-(3,5-dimethylphenyl)-6-hydroxybenzamide is sourced from PubChem (CID 23729699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).