3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide

C16H14ClFN2O2S — CID 53278977

IUPAC3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H14ClFN2O2S/c17-13-5-2-6-14(18)12(13)8-23-9-15(21)20-11-4-1-3-10(7-11)16(19)22/h1-7H,8-9H2,(H2,19,22)(H,20,21)
InChIKeyQVXYCFCQSHFAAS-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.45
Rot. Bonds6

About 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide

3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide (PubChem CID 53278977) has the molecular formula C16H14ClFN2O2S and a molecular weight of 352.82 g/mol. Its IUPAC name is 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide
PubChem CID53278977
Molecular FormulaC16H14ClFN2O2S
Molecular Weight352.82 g/mol
Exact Mass352.04
IUPAC Name3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H14ClFN2O2S/c17-13-5-2-6-14(18)12(13)8-23-9-15(21)20-11-4-1-3-10(7-11)16(19)22/h1-7H,8-9H2,(H2,19,22)(H,20,21)
InChIKeyQVXYCFCQSHFAAS-UHFFFAOYSA-N
XLogP3.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide
CID 53278987
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 3931148
N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
CID 4240546
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
CID 2230214
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide
CID 25431782
4-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 7309260
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide
CID 951606
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3909641
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide
CID 43426770
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide
CID 967744
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 126411795
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 2823473

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide (CID 53278977) is 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1.
What is the InChIKey of 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide?
The InChIKey is QVXYCFCQSHFAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2S/c17-13-5-2-6-14(18)12(13)8-23-9-15(21)20-11-4-1-3-10(7-11)16(19)22/h1-7H,8-9H2,(H2,19,22)(H,20,21).
What are the key properties of 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide?
3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide has a molecular weight of 352.82 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 53278977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).