3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide

C16H17FN2O2 — CID 68543683

IUPAC3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide
SMILESCN(c1ccccc1)C(c1cccc(F)c1)C(O)C(N)=O
InChIInChI=1S/C16H17FN2O2/c1-19(13-8-3-2-4-9-13)14(15(20)16(18)21)11-6-5-7-12(17)10-11/h2-10,14-15,20H,1H3,(H2,18,21)
InChIKeyXIPXKKMFWXCSNX-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.85
Rot. Bonds5

About 3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide

3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide (PubChem CID 68543683) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide
PubChem CID68543683
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide
SMILESCN(c1ccccc1)C(c1cccc(F)c1)C(O)C(N)=O
InChIInChI=1S/C16H17FN2O2/c1-19(13-8-3-2-4-9-13)14(15(20)16(18)21)11-6-5-7-12(17)10-11/h2-10,14-15,20H,1H3,(H2,18,21)
InChIKeyXIPXKKMFWXCSNX-UHFFFAOYSA-N
XLogP1.85
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide (CID 68543683) is 3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide is CN(c1ccccc1)C(c1cccc(F)c1)C(O)C(N)=O.
What is the InChIKey of 3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide?
The InChIKey is XIPXKKMFWXCSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-19(13-8-3-2-4-9-13)14(15(20)16(18)21)11-6-5-7-12(17)10-11/h2-10,14-15,20H,1H3,(H2,18,21).
What are the key properties of 3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide?
3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide has a molecular weight of 288.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-hydroxy-3-(N-methylanilino)propanamide is sourced from PubChem (CID 68543683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).