2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide

C21H17ClFNOS — CID 100757828

IUPAC2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1F)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C21H17ClFNOS/c22-17-9-8-16(20(23)13-17)12-21(25)24-18-10-6-15(7-11-18)14-26-19-4-2-1-3-5-19/h1-11,13H,12,14H2,(H,24,25)
InChIKeyUIAJJCWYOKFNAS-UHFFFAOYSA-N
MW385.89 g/mol
LogP5.95
Rot. Bonds6

About 2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide

2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide (PubChem CID 100757828) has the molecular formula C21H17ClFNOS and a molecular weight of 385.89 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
PubChem CID100757828
Molecular FormulaC21H17ClFNOS
Molecular Weight385.89 g/mol
Exact Mass385.07
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1F)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C21H17ClFNOS/c22-17-9-8-16(20(23)13-17)12-21(25)24-18-10-6-15(7-11-18)14-26-19-4-2-1-3-5-19/h1-11,13H,12,14H2,(H,24,25)
InChIKeyUIAJJCWYOKFNAS-UHFFFAOYSA-N
XLogP5.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.89
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
CID 100714513
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
CID 114853895
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 2239417
N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 46553550
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
1-[(2-fluorophenyl)methyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100763294
N-(4-ethyl-3-fluorophenyl)-2-(4-ethylsulfanylphenyl)acetamide
CID 123212321
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide
CID 3754740
2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516600

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide (CID 100757828) is 2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1F)Nc1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The InChIKey is UIAJJCWYOKFNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNOS/c22-17-9-8-16(20(23)13-17)12-21(25)24-18-10-6-15(7-11-18)14-26-19-4-2-1-3-5-19/h1-11,13H,12,14H2,(H,24,25).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide has a molecular weight of 385.89 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 100757828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).