N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide

C16H14Cl2FNOS — CID 3379552

IUPACN-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1cccc(F)c1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2FNOS/c17-14-5-4-11(7-15(14)18)8-20-16(21)10-22-9-12-2-1-3-13(19)6-12/h1-7H,8-10H2,(H,20,21)
InChIKeyMHHZWKKTYLTLJR-UHFFFAOYSA-N
MW358.27 g/mol
LogP4.68
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide

N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 3379552) has the molecular formula C16H14Cl2FNOS and a molecular weight of 358.27 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide
PubChem CID3379552
Molecular FormulaC16H14Cl2FNOS
Molecular Weight358.27 g/mol
Exact Mass357.02
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1cccc(F)c1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2FNOS/c17-14-5-4-11(7-15(14)18)8-20-16(21)10-22-9-12-2-1-3-13(19)6-12/h1-7H,8-10H2,(H,20,21)
InChIKeyMHHZWKKTYLTLJR-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40603897
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100648412
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 3163440
2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168945
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 99958957
N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 86926259
2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 9301227
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
3-[[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]methyl]benzamide
CID 33094692

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide (CID 3379552) is N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide is O=C(CSCc1cccc(F)c1)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is MHHZWKKTYLTLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNOS/c17-14-5-4-11(7-15(14)18)8-20-16(21)10-22-9-12-2-1-3-13(19)6-12/h1-7H,8-10H2,(H,20,21).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide?
N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 358.27 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 3379552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).