1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide

C15H20FNO2S — CID 103798904

IUPAC1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FNO2S/c1-10(13(9-18)20-2)17-14(19)15(7-8-15)11-3-5-12(16)6-4-11/h3-6,10,13,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyGECQTVZHZIPWBQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.09
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide (PubChem CID 103798904) has the molecular formula C15H20FNO2S and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide
PubChem CID103798904
Molecular FormulaC15H20FNO2S
Molecular Weight297.40 g/mol
Exact Mass297.12
IUPAC Name1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FNO2S/c1-10(13(9-18)20-2)17-14(19)15(7-8-15)11-3-5-12(16)6-4-11/h3-6,10,13,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyGECQTVZHZIPWBQ-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide (CID 103798904) is 1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide is CSC(CO)C(C)NC(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is GECQTVZHZIPWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2S/c1-10(13(9-18)20-2)17-14(19)15(7-8-15)11-3-5-12(16)6-4-11/h3-6,10,13,18H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 103798904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).