1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide

C19H20FNO2 — CID 111434836

IUPAC1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
SMILESCC(O)(CNC(=O)C1(c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C19H20FNO2/c1-18(23,14-7-3-2-4-8-14)13-21-17(22)19(11-12-19)15-9-5-6-10-16(15)20/h2-10,23H,11-13H2,1H3,(H,21,22)
InChIKeyBHCOVROIBCPRFD-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.88
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide (PubChem CID 111434836) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
PubChem CID111434836
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
SMILESCC(O)(CNC(=O)C1(c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C19H20FNO2/c1-18(23,14-7-3-2-4-8-14)13-21-17(22)19(11-12-19)15-9-5-6-10-16(15)20/h2-10,23H,11-13H2,1H3,(H,21,22)
InChIKeyBHCOVROIBCPRFD-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide (CID 111434836) is 1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide is CC(O)(CNC(=O)C1(c2ccccc2F)CC1)c1ccccc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide?
The InChIKey is BHCOVROIBCPRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-18(23,14-7-3-2-4-8-14)13-21-17(22)19(11-12-19)15-9-5-6-10-16(15)20/h2-10,23H,11-13H2,1H3,(H,21,22).
What are the key properties of 1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 111434836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).