N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C13H16FNO2S — CID 107025875

IUPACN-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCOc1cc(F)ccc1NC(=O)CC1(CS)CC1
InChIInChI=1S/C13H16FNO2S/c1-17-11-6-9(14)2-3-10(11)15-12(16)7-13(8-18)4-5-13/h2-3,6,18H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyMKYCQZIYGIEGTP-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.87
Rot. Bonds5

About N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107025875) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107025875
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCOc1cc(F)ccc1NC(=O)CC1(CS)CC1
InChIInChI=1S/C13H16FNO2S/c1-17-11-6-9(14)2-3-10(11)15-12(16)7-13(8-18)4-5-13/h2-3,6,18H,4-5,7-8H2,1H3,(H,15,16)
InChIKeyMKYCQZIYGIEGTP-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 114262457
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572987
2-acetamido-N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107769305
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 62835572
5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
CID 54967245
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 98407874
N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide
CID 34082938
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 32609722
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107025875) is N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is COc1cc(F)ccc1NC(=O)CC1(CS)CC1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is MKYCQZIYGIEGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2S/c1-17-11-6-9(14)2-3-10(11)15-12(16)7-13(8-18)4-5-13/h2-3,6,18H,4-5,7-8H2,1H3,(H,15,16).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 269.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107025875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).