3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide

C22H14Cl2FNOS — CID 59194118

IUPAC3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(Cl)c3cc(Cc4cc(F)cc(Cl)c4)sc23)c1
InChIInChI=1S/C22H14Cl2FNOS/c23-15-6-12(7-16(25)10-15)8-17-11-19-20(24)5-4-18(21(19)28-17)13-2-1-3-14(9-13)22(26)27/h1-7,9-11H,8H2,(H2,26,27)
InChIKeyASRBPDDTHATHOT-UHFFFAOYSA-N
MW430.33 g/mol
LogP6.70
Rot. Bonds4

About 3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide

3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide (PubChem CID 59194118) has the molecular formula C22H14Cl2FNOS and a molecular weight of 430.33 g/mol. Its IUPAC name is 3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide.

Molecular Properties

Compound Name3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide
PubChem CID59194118
Molecular FormulaC22H14Cl2FNOS
Molecular Weight430.33 g/mol
Exact Mass429.02
IUPAC Name3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(Cl)c3cc(Cc4cc(F)cc(Cl)c4)sc23)c1
InChIInChI=1S/C22H14Cl2FNOS/c23-15-6-12(7-16(25)10-15)8-17-11-19-20(24)5-4-18(21(19)28-17)13-2-1-3-14(9-13)22(26)27/h1-7,9-11H,8H2,(H2,26,27)
InChIKeyASRBPDDTHATHOT-UHFFFAOYSA-N
XLogP6.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.33
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dichloro-1-benzothiophene-2-carboxamide
CID 21822810
4-(3-chloro-4-fluorophenyl)-N-(diaminomethylidene)-1-benzothiophene-2-carboxamide
CID 11640819
N-[(E)-2-(1-benzothiophen-3-yl)ethenyl]sulfonyl-2-chloro-4-fluorobenzamide
CID 16036234
3-[(2,4-dichloro-5-fluorophenyl)methyl]-2-methyl-N-pentylsulfonyl-1-benzothiophene-5-carboxamide
CID 22387996
5-[2-[(3-Chloro-5-fluorophenyl)methyl]-4-fluoro-1-benzothiophen-7-yl]-2-fluorobenzamide
CID 59193728
3-[2-[(3-Chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-5-fluorobenzamide
CID 59193763
5-[2-[(3-Chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]-2-fluorobenzamide
CID 59193771
3-Fluoro-5-[4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
CID 59193795
N-(2-amino-2-oxoethyl)-3-[4-chloro-2-[(3,4-difluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide
CID 59193832
3-[4-Chloro-2-[(3,4-difluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide
CID 59193835
3-[2-[3-Fluoro-5-(trifluoromethyl)benzyl]-1-benzothiophen-7-yl]benzamide
CID 59193875
3-[4-Fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
CID 59193944

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide?
The IUPAC name of 3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide (CID 59194118) is 3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide.
What is the SMILES notation for 3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide?
The canonical SMILES for 3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide is NC(=O)c1cccc(-c2ccc(Cl)c3cc(Cc4cc(F)cc(Cl)c4)sc23)c1.
What is the InChIKey of 3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide?
The InChIKey is ASRBPDDTHATHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FNOS/c23-15-6-12(7-16(25)10-15)8-17-11-19-20(24)5-4-18(21(19)28-17)13-2-1-3-14(9-13)22(26)27/h1-7,9-11H,8H2,(H2,26,27).
What are the key properties of 3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide?
3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide has a molecular weight of 430.33 g/mol, XLogP of 6.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-[(3-chloro-5-fluorophenyl)methyl]-1-benzothiophen-7-yl]benzamide is sourced from PubChem (CID 59194118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).