3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide

C23H20Cl3NO2S — CID 100749292

IUPAC3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide
SMILESO=C(NCCSCc1ccc(Cl)cc1Cl)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C23H20Cl3NO2S/c24-19-9-8-18(22(26)13-19)15-30-11-10-27-23(28)16-5-3-6-20(12-16)29-14-17-4-1-2-7-21(17)25/h1-9,12-13H,10-11,14-15H2,(H,27,28)
InChIKeySIHBHQWWKPKAAM-UHFFFAOYSA-N
MW480.84 g/mol
LogP6.89
Rot. Bonds9

About 3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide

3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide (PubChem CID 100749292) has the molecular formula C23H20Cl3NO2S and a molecular weight of 480.84 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide
PubChem CID100749292
Molecular FormulaC23H20Cl3NO2S
Molecular Weight480.84 g/mol
Exact Mass479.03
IUPAC Name3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide
SMILESO=C(NCCSCc1ccc(Cl)cc1Cl)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C23H20Cl3NO2S/c24-19-9-8-18(22(26)13-19)15-30-11-10-27-23(28)16-5-3-6-20(12-16)29-14-17-4-1-2-7-21(17)25/h1-9,12-13H,10-11,14-15H2,(H,27,28)
InChIKeySIHBHQWWKPKAAM-UHFFFAOYSA-N
XLogP6.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.84
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 2742022
3-(2-amino-2-oxoethoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 134048512
3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
CID 30155712
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-4-propan-2-yloxybenzamide
CID 9180021
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-4-ethoxy-3-methylbenzamide
CID 100768676
3-[(2-chlorophenyl)methoxy]-N-(pyridin-4-ylmethyl)benzamide
CID 30155863
3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide
CID 100749756
2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 2290637
4-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-nitrobenzamide
CID 126189821
(2R)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methylphenoxy)butanamide
CID 28635218
1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952238
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide (CID 100749292) is 3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide is O=C(NCCSCc1ccc(Cl)cc1Cl)c1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide?
The InChIKey is SIHBHQWWKPKAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl3NO2S/c24-19-9-8-18(22(26)13-19)15-30-11-10-27-23(28)16-5-3-6-20(12-16)29-14-17-4-1-2-7-21(17)25/h1-9,12-13H,10-11,14-15H2,(H,27,28).
What are the key properties of 3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide?
3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide has a molecular weight of 480.84 g/mol, XLogP of 6.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 100749292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).