1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide

C16H22FNO2S — CID 71787332

IUPAC1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide
SMILESCSCCC(C)(O)CNC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2S/c1-15(20,9-10-21-2)11-18-14(19)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,20H,7-11H2,1-2H3,(H,18,19)
InChIKeyQZACAPQHHKPALN-UHFFFAOYSA-N
MW311.42 g/mol
LogP2.48
Rot. Bonds7

About 1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide (PubChem CID 71787332) has the molecular formula C16H22FNO2S and a molecular weight of 311.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide
PubChem CID71787332
Molecular FormulaC16H22FNO2S
Molecular Weight311.42 g/mol
Exact Mass311.14
IUPAC Name1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide
SMILESCSCCC(C)(O)CNC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2S/c1-15(20,9-10-21-2)11-18-14(19)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,20H,7-11H2,1-2H3,(H,18,19)
InChIKeyQZACAPQHHKPALN-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-fluorophenyl)acetamide
CID 52992734
1-(4-tert-butylphenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide
CID 56819335
2-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)acetamide
CID 71787178
1-(4-fluorophenyl)-N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide
CID 71787603
(3R)-1-{[1-(2-fluorophenyl)cyclopropyl]carbonyl}-3,4,4-trimethyl-3-pyrrolidinol
CID 72871251
3-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)propanamide
CID 76147803
N-[(S)-2-hydroxy-2-methyl-3-(methylthio)propyl]o-fluorobenzamide
CID 95984091
N-{[(R)-3-methoxytetrahydro-3-thienyl]methyl}1-(p-fluorophenyl)cyclopropanecarboxamide
CID 97551124
N-[(S)-2-hydroxy-2-methyl-3-(methylthio)propyl]3-[p-(trifluoromethyl)phenyl]propionamide
CID 99695670
N-[(R)-2-cyclopropyl-2-hydroxypropyl]3-(o-fluorophenyl)propionamide
CID 99873898
N-(3-methylsulfanylpropyl)-1-phenylcyclopentane-1-carboxamide
CID 172436151
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)-4-phenylbutanamide
CID 71787180

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide (CID 71787332) is 1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide is CSCCC(C)(O)CNC(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide?
The InChIKey is QZACAPQHHKPALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2S/c1-15(20,9-10-21-2)11-18-14(19)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,20H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide has a molecular weight of 311.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71787332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).