N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide

C16H19ClFNOS — CID 7030009

IUPACN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1c(F)cccc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C16H19ClFNOS/c17-13-2-1-3-14(18)12(13)8-21-9-16(20)19-15-7-10-4-5-11(15)6-10/h1-3,10-11,15H,4-9H2,(H,19,20)/t10-,11-,15-/m1/s1
InChIKeySBAGARNROXJDSI-UEKVPHQBSA-N
MW327.85 g/mol
LogP4.02
Rot. Bonds5

About N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 7030009) has the molecular formula C16H19ClFNOS and a molecular weight of 327.85 g/mol. Its IUPAC name is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
PubChem CID7030009
Molecular FormulaC16H19ClFNOS
Molecular Weight327.85 g/mol
Exact Mass327.09
IUPAC NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1c(F)cccc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C16H19ClFNOS/c17-13-2-1-3-14(18)12(13)8-21-9-16(20)19-15-7-10-4-5-11(15)6-10/h1-3,10-11,15H,4-9H2,(H,19,20)/t10-,11-,15-/m1/s1
InChIKeySBAGARNROXJDSI-UEKVPHQBSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide with MolForge

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide
CID 967744
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 2823473
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(3-bromophenyl)methylsulfanyl]acetamide
CID 126190297
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chloro-2-fluorophenyl)acetamide
CID 100581281
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2969276
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2,6-dichlorobenzamide
CID 7241697
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63527858
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide
CID 18555874
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide
CID 95118659
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-piperidin-1-ylethanone
CID 838643
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]cyclopropanecarboxamide
CID 100610014
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 94726162

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide (CID 7030009) is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide is O=C(CSCc1c(F)cccc1Cl)N[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is SBAGARNROXJDSI-UEKVPHQBSA-N. The full InChI is InChI=1S/C16H19ClFNOS/c17-13-2-1-3-14(18)12(13)8-21-9-16(20)19-15-7-10-4-5-11(15)6-10/h1-3,10-11,15H,4-9H2,(H,19,20)/t10-,11-,15-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide?
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 327.85 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 7030009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).