2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide

C19H20ClFN2O2S — CID 2235778

IUPAC2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)CSCc1c(F)cccc1Cl
InChIInChI=1S/C19H20ClFN2O2S/c1-2-10-22-19(25)13-6-3-4-9-17(13)23-18(24)12-26-11-14-15(20)7-5-8-16(14)21/h3-9H,2,10-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyLFLWBWINIWTAEQ-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.49
Rot. Bonds8

About 2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide

2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide (PubChem CID 2235778) has the molecular formula C19H20ClFN2O2S and a molecular weight of 394.90 g/mol. Its IUPAC name is 2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide
PubChem CID2235778
Molecular FormulaC19H20ClFN2O2S
Molecular Weight394.90 g/mol
Exact Mass394.09
IUPAC Name2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)CSCc1c(F)cccc1Cl
InChIInChI=1S/C19H20ClFN2O2S/c1-2-10-22-19(25)13-6-3-4-9-17(13)23-18(24)12-26-11-14-15(20)7-5-8-16(14)21/h3-9H,2,10-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyLFLWBWINIWTAEQ-UHFFFAOYSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.49
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
N-butan-2-yl-2-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 2948356
N-butyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 17310014
4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide
CID 55896752
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 16547944
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 2228601
N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
CID 4240546
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 94726162
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide
CID 43877007
2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]-[(2-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132613453
3-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide
CID 53279074
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 53279072

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide?
The IUPAC name of 2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide (CID 2235778) is 2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)CSCc1c(F)cccc1Cl.
What is the InChIKey of 2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide?
The InChIKey is LFLWBWINIWTAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2S/c1-2-10-22-19(25)13-6-3-4-9-17(13)23-18(24)12-26-11-14-15(20)7-5-8-16(14)21/h3-9H,2,10-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide?
2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide has a molecular weight of 394.90 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 2235778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).