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

C17H16ClFN2O2S — CID 53278987

IUPAC3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide
SMILESCc1c(NC(=O)CSCc2c(F)cccc2Cl)cccc1C(N)=O
InChIInChI=1S/C17H16ClFN2O2S/c1-10-11(17(20)23)4-2-7-15(10)21-16(22)9-24-8-12-13(18)5-3-6-14(12)19/h2-7H,8-9H2,1H3,(H2,20,23)(H,21,22)
InChIKeyKGHNNBZHWOHICL-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.76
Rot. Bonds6

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

3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide (PubChem CID 53278987) has the molecular formula C17H16ClFN2O2S and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide
PubChem CID53278987
Molecular FormulaC17H16ClFN2O2S
Molecular Weight366.85 g/mol
Exact Mass366.06
IUPAC Name3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide
SMILESCc1c(NC(=O)CSCc2c(F)cccc2Cl)cccc1C(N)=O
InChIInChI=1S/C17H16ClFN2O2S/c1-10-11(17(20)23)4-2-7-15(10)21-16(22)9-24-8-12-13(18)5-3-6-14(12)19/h2-7H,8-9H2,1H3,(H2,20,23)(H,21,22)
InChIKeyKGHNNBZHWOHICL-UHFFFAOYSA-N
XLogP3.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide
CID 53279074
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 2228601
2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide
CID 2235778
3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide
CID 34568225
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 53279072
3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 53278977
N-(3-carbamoyl-2-methylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53284599
methyl 3-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethylcarbamothioylamino]-2-methylbenzoate
CID 100605757
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 958766
3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide
CID 78866555
N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309878

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide?
The IUPAC name of 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide (CID 53278987) is 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide.
What is the SMILES notation for 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide?
The canonical SMILES for 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide is Cc1c(NC(=O)CSCc2c(F)cccc2Cl)cccc1C(N)=O.
What is the InChIKey of 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide?
The InChIKey is KGHNNBZHWOHICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2S/c1-10-11(17(20)23)4-2-7-15(10)21-16(22)9-24-8-12-13(18)5-3-6-14(12)19/h2-7H,8-9H2,1H3,(H2,20,23)(H,21,22).
What are the key properties of 3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide?
3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide has a molecular weight of 366.85 g/mol, XLogP of 3.76, 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]-2-methylbenzamide is sourced from PubChem (CID 53278987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).