1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide

C13H16FNO3S — CID 110612491

IUPAC1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)CCNC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C13H16FNO3S/c1-19(17,18)9-8-15-12(16)13(6-7-13)10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyIZTGSZFFRJSRLT-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.02
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide (PubChem CID 110612491) has the molecular formula C13H16FNO3S and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
PubChem CID110612491
Molecular FormulaC13H16FNO3S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC Name1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)CCNC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C13H16FNO3S/c1-19(17,18)9-8-15-12(16)13(6-7-13)10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyIZTGSZFFRJSRLT-UHFFFAOYSA-N
XLogP1.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110626715
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CID 110438309
N-(2-acetamidoethyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
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1-(2-fluorophenyl)-N-(5-hydroxypentyl)cyclopropane-1-carboxamide
CID 110485230
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 16673287
1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
CID 110437588
N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
CID 56793387
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030
1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 110473612
1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 110428117
ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate
CID 110485221
3-[2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]ethyldisulfanyl]propanoic acid
CID 166425168

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide (CID 110612491) is 1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide is CS(=O)(=O)CCNC(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide?
The InChIKey is IZTGSZFFRJSRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3S/c1-19(17,18)9-8-15-12(16)13(6-7-13)10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3,(H,15,16).
What are the key properties of 1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-methylsulfonylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110612491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).