N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide

C21H17Cl3F3NO2S — CID 71511848

IUPACN-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCc1ccc(C2=COC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl
InChIInChI=1S/C21H17Cl3F3NO2S/c1-31-11-19(29)28-9-13-3-2-12(4-18(13)24)14-8-20(30-10-14,21(25,26)27)15-5-16(22)7-17(23)6-15/h2-7,10H,8-9,11H2,1H3,(H,28,29)
InChIKeyCBILRMLMWFQKCH-UHFFFAOYSA-N
MW510.79 g/mol
LogP6.84
Rot. Bonds6

About N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide

N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide (PubChem CID 71511848) has the molecular formula C21H17Cl3F3NO2S and a molecular weight of 510.79 g/mol. Its IUPAC name is N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide
PubChem CID71511848
Molecular FormulaC21H17Cl3F3NO2S
Molecular Weight510.79 g/mol
Exact Mass509.00
IUPAC NameN-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCc1ccc(C2=COC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl
InChIInChI=1S/C21H17Cl3F3NO2S/c1-31-11-19(29)28-9-13-3-2-12(4-18(13)24)14-8-20(30-10-14,21(25,26)27)15-5-16(22)7-17(23)6-15/h2-7,10H,8-9,11H2,1H3,(H,28,29)
InChIKeyCBILRMLMWFQKCH-UHFFFAOYSA-N
XLogP6.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.79
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]propanamide
CID 25182822
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CID 126484624
2,2,2-trifluoroethyl N-[[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]carbamate
CID 87302771
N-[[4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylphenyl]methyl]-3-methylsulfanylprop-1-en-2-amine
CID 118509252
4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide
CID 162235456
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CID 86649771
5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-2-(1,2,4-triazol-1-yl)benzonitrile
CID 71272459
2-chloro-N-[[2-chloro-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]methyl]acetamide
CID 45376023
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CID 71470636
N-[[4-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-chlorophenyl]methyl]-2,2-dibromoacetamide
CID 87183706
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CID 67256933
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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide (CID 71511848) is N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide is CSCC(=O)NCc1ccc(C2=COC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl.
What is the InChIKey of N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide?
The InChIKey is CBILRMLMWFQKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3F3NO2S/c1-31-11-19(29)28-9-13-3-2-12(4-18(13)24)14-8-20(30-10-14,21(25,26)27)15-5-16(22)7-17(23)6-15/h2-7,10H,8-9,11H2,1H3,(H,28,29).
What are the key properties of N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide?
N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide has a molecular weight of 510.79 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 71511848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).