3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide

C15H12Cl3NO2 — CID 790473

IUPAC3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
SMILESCCOc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl3NO2/c1-2-21-10-5-3-4-9(6-10)15(20)19-14-8-12(17)11(16)7-13(14)18/h3-8H,2H2,1H3,(H,19,20)
InChIKeyJTHZLGQMZCONDC-UHFFFAOYSA-N
MW344.63 g/mol
LogP5.30
Rot. Bonds4

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

3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 790473) has the molecular formula C15H12Cl3NO2 and a molecular weight of 344.63 g/mol. Its IUPAC name is 3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID790473
Molecular FormulaC15H12Cl3NO2
Molecular Weight344.63 g/mol
Exact Mass342.99
IUPAC Name3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
SMILESCCOc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H12Cl3NO2/c1-2-21-10-5-3-4-9(6-10)15(20)19-14-8-12(17)11(16)7-13(14)18/h3-8H,2H2,1H3,(H,19,20)
InChIKeyJTHZLGQMZCONDC-UHFFFAOYSA-N
XLogP5.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 4957662
N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
CID 100829813
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-(2-ethoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 17139885
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid
CID 28672085
N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-ethoxybenzamide
CID 28672123
3-chloro-N-(2,4,5-trichlorophenyl)benzamide
CID 854431
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 23733721
N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide
CID 64789293

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide (CID 790473) is 3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide is CCOc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is JTHZLGQMZCONDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO2/c1-2-21-10-5-3-4-9(6-10)15(20)19-14-8-12(17)11(16)7-13(14)18/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide?
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 344.63 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 790473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).