5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide

C16H15Cl2NO2 — CID 9113269

IUPAC5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO2/c1-21-15-7-6-13(18)10-14(15)16(20)19-9-8-11-2-4-12(17)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyPGKRZFXOEXBTSY-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.97
Rot. Bonds5

About 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide

5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide (PubChem CID 9113269) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
PubChem CID9113269
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO2/c1-21-15-7-6-13(18)10-14(15)16(20)19-9-8-11-2-4-12(17)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyPGKRZFXOEXBTSY-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide (CID 9113269) is 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide?
The InChIKey is PGKRZFXOEXBTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-21-15-7-6-13(18)10-14(15)16(20)19-9-8-11-2-4-12(17)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide?
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide has a molecular weight of 324.21 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 9113269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).