4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide

C19H14Cl2F3NOS — CID 90134444

IUPAC4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide
SMILESCc1cc(C2=CSC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(N)=O
InChIInChI=1S/C19H14Cl2F3NOS/c1-10-4-11(2-3-16(10)17(25)26)12-8-18(27-9-12,19(22,23)24)13-5-14(20)7-15(21)6-13/h2-7,9H,8H2,1H3,(H2,25,26)
InChIKeyLAHOEQRFFYXJQM-UHFFFAOYSA-N
MW432.29 g/mol
LogP6.34
Rot. Bonds3

About 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide

4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide (PubChem CID 90134444) has the molecular formula C19H14Cl2F3NOS and a molecular weight of 432.29 g/mol. Its IUPAC name is 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide
PubChem CID90134444
Molecular FormulaC19H14Cl2F3NOS
Molecular Weight432.29 g/mol
Exact Mass431.01
IUPAC Name4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide
SMILESCc1cc(C2=CSC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(N)=O
InChIInChI=1S/C19H14Cl2F3NOS/c1-10-4-11(2-3-16(10)17(25)26)12-8-18(27-9-12,19(22,23)24)13-5-14(20)7-15(21)6-13/h2-7,9H,8H2,1H3,(H2,25,26)
InChIKeyLAHOEQRFFYXJQM-UHFFFAOYSA-N
XLogP6.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.29
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

US9663508, Example 807
CID 122422583
N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide
CID 15603962
N-[(E)-2-(2-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide
CID 15604069
4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-2-enoyl]benzamide
CID 66735591
4-(3-(3,5-Dichlorophenyl)-4,4,4-trifluoro-2-butenoyl)benzoic acid amide
CID 66735592
4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-2-enoyl]-2-methylbenzamide
CID 66738432
4-(3-(3,5-Dichlorophenyl)-4,4,4-trifluoro-2-butenoyl)-2-methylbenzoic acid amide
CID 66738433
3-Chloro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 67657536
3-[3-Chloro-4-(trifluoromethyl)phenyl]benzamide
CID 68758024
4-(2-Chlorophenyl)-3-(trifluoromethyl)benzamide
CID 69323940
4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 73775811
4-[(E)-3-(3,5-Dichloro-phenyl)-4,4,4-trifluoro-but-2-enoyl]-2-methyl-N-(3-methyl-thietan-3-yl)-benzamide
CID 86695998

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide?
The IUPAC name of 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide (CID 90134444) is 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide.
What is the SMILES notation for 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide?
The canonical SMILES for 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide is Cc1cc(C2=CSC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(N)=O.
What is the InChIKey of 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide?
The InChIKey is LAHOEQRFFYXJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3NOS/c1-10-4-11(2-3-16(10)17(25)26)12-8-18(27-9-12,19(22,23)24)13-5-14(20)7-15(21)6-13/h2-7,9H,8H2,1H3,(H2,25,26).
What are the key properties of 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide?
4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide has a molecular weight of 432.29 g/mol, XLogP of 6.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2-methylbenzamide is sourced from PubChem (CID 90134444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).