3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide

C27H21Cl2NO2S — CID 100749756

IUPAC3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C27H21Cl2NO2S/c28-22-14-12-19(13-15-22)18-33-26-11-4-3-10-25(26)30-27(31)20-7-5-8-23(16-20)32-17-21-6-1-2-9-24(21)29/h1-16H,17-18H2,(H,30,31)
InChIKeyJQBJJICCSIYMEZ-UHFFFAOYSA-N
MW494.44 g/mol
LogP8.12
Rot. Bonds8

About 3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide

3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide (PubChem CID 100749756) has the molecular formula C27H21Cl2NO2S and a molecular weight of 494.44 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide
PubChem CID100749756
Molecular FormulaC27H21Cl2NO2S
Molecular Weight494.44 g/mol
Exact Mass493.07
IUPAC Name3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C27H21Cl2NO2S/c28-22-14-12-19(13-15-22)18-33-26-11-4-3-10-25(26)30-27(31)20-7-5-8-23(16-20)32-17-21-6-1-2-9-24(21)29/h1-16H,17-18H2,(H,30,31)
InChIKeyJQBJJICCSIYMEZ-UHFFFAOYSA-N
XLogP8.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.44
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 30155523
3-[(2-chlorophenyl)methoxy]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100583410
N-(2-chlorophenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738882
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide
CID 100763591
3-[(2-chlorophenyl)methoxy]-N-(6-methyl-2-pyridinyl)benzamide
CID 30155682
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
methyl 3-[[3-[(2-chlorophenyl)methoxy]benzoyl]amino]-4-methoxybenzoate
CID 100749996
3-[(2-chlorophenyl)methoxy]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]benzamide
CID 100749292
3,4-dichloro-N-[2-[(4-cyanophenyl)methylsulfanyl]phenyl]benzamide
CID 134097099
3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
CID 24514517
3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 30155589
3-[(2-chlorophenyl)methoxy]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100749590

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide (CID 100749756) is 3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide is O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide?
The InChIKey is JQBJJICCSIYMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Cl2NO2S/c28-22-14-12-19(13-15-22)18-33-26-11-4-3-10-25(26)30-27(31)20-7-5-8-23(16-20)32-17-21-6-1-2-9-24(21)29/h1-16H,17-18H2,(H,30,31).
What are the key properties of 3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide?
3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide has a molecular weight of 494.44 g/mol, XLogP of 8.12, 8 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-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide is sourced from PubChem (CID 100749756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).