1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide

C15H18FNO3 — CID 91762806

IUPAC1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1O)C1(c2ccccc2F)CC1
InChIInChI=1S/C15H18FNO3/c16-11-4-2-1-3-10(11)15(6-7-15)14(19)17-12-5-8-20-9-13(12)18/h1-4,12-13,18H,5-9H2,(H,17,19)/t12-,13-/m1/s1
InChIKeyLQWHQENTOFCGQJ-CHWSQXEVSA-N
MW279.31 g/mol
LogP1.12
Rot. Bonds3

About 1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide (PubChem CID 91762806) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide
PubChem CID91762806
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1O)C1(c2ccccc2F)CC1
InChIInChI=1S/C15H18FNO3/c16-11-4-2-1-3-10(11)15(6-7-15)14(19)17-12-5-8-20-9-13(12)18/h1-4,12-13,18H,5-9H2,(H,17,19)/t12-,13-/m1/s1
InChIKeyLQWHQENTOFCGQJ-CHWSQXEVSA-N
XLogP1.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide (CID 91762806) is 1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide is O=C(N[C@@H]1CCOC[C@H]1O)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide?
The InChIKey is LQWHQENTOFCGQJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-11-4-2-1-3-10(11)15(6-7-15)14(19)17-12-5-8-20-9-13(12)18/h1-4,12-13,18H,5-9H2,(H,17,19)/t12-,13-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 91762806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).