3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide

C16H15Cl2NO2 — CID 113102716

IUPAC3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide
SMILESCc1cc(OCCNC(=O)c2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-11-9-14(5-6-15(11)18)21-8-7-19-16(20)12-3-2-4-13(17)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyREVBMANROFPHIW-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.11
Rot. Bonds5

About 3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide

3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide (PubChem CID 113102716) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide
PubChem CID113102716
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide
SMILESCc1cc(OCCNC(=O)c2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-11-9-14(5-6-15(11)18)21-8-7-19-16(20)12-3-2-4-13(17)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyREVBMANROFPHIW-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide
CID 113100237
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 24637931
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113103051
3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
CID 13387095
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide
CID 113102585
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea
CID 112976734

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide (CID 113102716) is 3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide is Cc1cc(OCCNC(=O)c2cccc(Cl)c2)ccc1Cl.
What is the InChIKey of 3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide?
The InChIKey is REVBMANROFPHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-11-9-14(5-6-15(11)18)21-8-7-19-16(20)12-3-2-4-13(17)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,20).
What are the key properties of 3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide?
3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide has a molecular weight of 324.21 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 113102716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).