3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide

C19H15F2NO2 — CID 10381777

IUPAC3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
SMILESO=C(N[C@@H](CO)c1ccc2ccccc2c1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H15F2NO2/c20-16-8-7-15(10-17(16)21)19(24)22-18(11-23)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18,23H,11H2,(H,22,24)/t18-/m0/s1
InChIKeyVWINTGWFYCKUGB-SFHVURJKSA-N
MW327.33 g/mol
LogP3.58
Rot. Bonds4

About 3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide

3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide (PubChem CID 10381777) has the molecular formula C19H15F2NO2 and a molecular weight of 327.33 g/mol. Its IUPAC name is 3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
PubChem CID10381777
Molecular FormulaC19H15F2NO2
Molecular Weight327.33 g/mol
Exact Mass327.11
IUPAC Name3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
SMILESO=C(N[C@@H](CO)c1ccc2ccccc2c1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H15F2NO2/c20-16-8-7-15(10-17(16)21)19(24)22-18(11-23)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18,23H,11H2,(H,22,24)/t18-/m0/s1
InChIKeyVWINTGWFYCKUGB-SFHVURJKSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide (CID 10381777) is 3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide is O=C(N[C@@H](CO)c1ccc2ccccc2c1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide?
The InChIKey is VWINTGWFYCKUGB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15F2NO2/c20-16-8-7-15(10-17(16)21)19(24)22-18(11-23)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18,23H,11H2,(H,22,24)/t18-/m0/s1.
What are the key properties of 3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide?
3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide has a molecular weight of 327.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide is sourced from PubChem (CID 10381777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).