1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide

C16H16FNO2S — CID 71782447

IUPAC1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(O)c1cccs1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H16FNO2S/c17-12-5-3-11(4-6-12)16(7-8-16)15(20)18-10-13(19)14-2-1-9-21-14/h1-6,9,13,19H,7-8,10H2,(H,18,20)
InChIKeyXPJQNLSNCPDWIA-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.77
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide (PubChem CID 71782447) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
PubChem CID71782447
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(O)c1cccs1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H16FNO2S/c17-12-5-3-11(4-6-12)16(7-8-16)15(20)18-10-13(19)14-2-1-9-21-14/h1-6,9,13,19H,7-8,10H2,(H,18,20)
InChIKeyXPJQNLSNCPDWIA-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.77
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-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide (CID 71782447) is 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide is O=C(NCC(O)c1cccs1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is XPJQNLSNCPDWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-12-5-3-11(4-6-12)16(7-8-16)15(20)18-10-13(19)14-2-1-9-21-14/h1-6,9,13,19H,7-8,10H2,(H,18,20).
What are the key properties of 1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 305.37 g/mol, XLogP of 2.77, 5 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-thiophen-2-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71782447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).