1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide

C17H18FNO2S — CID 111791701

IUPAC1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
SMILESO=C(NCC(O)c1ccsc1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C17H18FNO2S/c18-14-4-1-3-13(9-14)17(6-2-7-17)16(21)19-10-15(20)12-5-8-22-11-12/h1,3-5,8-9,11,15,20H,2,6-7,10H2,(H,19,21)
InChIKeyYTZATYFAKUEINW-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.16
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide (PubChem CID 111791701) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
PubChem CID111791701
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
SMILESO=C(NCC(O)c1ccsc1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C17H18FNO2S/c18-14-4-1-3-13(9-14)17(6-2-7-17)16(21)19-10-15(20)12-5-8-22-11-12/h1,3-5,8-9,11,15,20H,2,6-7,10H2,(H,19,21)
InChIKeyYTZATYFAKUEINW-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]cyclobutane-1-carboxamide
CID 111791808
1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
CID 96529236
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
1-(3-fluorophenyl)-N-[2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
CID 71977317
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide
CID 111791814
1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)cyclopropane-1-carboxamide
CID 111386384
1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119332175
N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 120651377
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 119639919

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide (CID 111791701) is 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide is O=C(NCC(O)c1ccsc1)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide?
The InChIKey is YTZATYFAKUEINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-14-4-1-3-13(9-14)17(6-2-7-17)16(21)19-10-15(20)12-5-8-22-11-12/h1,3-5,8-9,11,15,20H,2,6-7,10H2,(H,19,21).
What are the key properties of 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 111791701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).