3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide

C15H12Cl3NO2 — CID 113099351

IUPAC3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
SMILESO=C(NCCOc1ccccc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3NO2/c16-11-6-5-10(9-13(11)18)15(20)19-7-8-21-14-4-2-1-3-12(14)17/h1-6,9H,7-8H2,(H,19,20)
InChIKeyUOIZRPWRWAIUBI-UHFFFAOYSA-N
MW344.63 g/mol
LogP4.46
Rot. Bonds5

About 3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide

3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide (PubChem CID 113099351) has the molecular formula C15H12Cl3NO2 and a molecular weight of 344.63 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
PubChem CID113099351
Molecular FormulaC15H12Cl3NO2
Molecular Weight344.63 g/mol
Exact Mass342.99
IUPAC Name3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
SMILESO=C(NCCOc1ccccc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3NO2/c16-11-6-5-10(9-13(11)18)15(20)19-7-8-21-14-4-2-1-3-12(14)17/h1-6,9H,7-8H2,(H,19,20)
InChIKeyUOIZRPWRWAIUBI-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.63
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
CID 113100933
N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 5302938
N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 6459476
N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide
CID 3150911
1-N,3-N-bis[2-(2-chlorophenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide
CID 3710842
N-[2-(2-chlorophenoxy)ethyl]-3,5-dinitrobenzamide;methane
CID 158874069
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide
CID 113060757
3,4-dichloro-N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]benzamide
CID 78871648
4-chloro-N-[2-(2-methoxyphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55343714

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide (CID 113099351) is 3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide is O=C(NCCOc1ccccc1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide?
The InChIKey is UOIZRPWRWAIUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO2/c16-11-6-5-10(9-13(11)18)15(20)19-7-8-21-14-4-2-1-3-12(14)17/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide?
3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide has a molecular weight of 344.63 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide is sourced from PubChem (CID 113099351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).