3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide

C17H19FN2O2 — CID 68547973

IUPAC3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(O)C(c1ccccc1)N(C)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-19-17(22)16(21)15(12-6-4-3-5-7-12)20(2)14-10-8-13(18)9-11-14/h3-11,15-16,21H,1-2H3,(H,19,22)
InChIKeyDHMLNZBDPYQQAT-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.11
Rot. Bonds5

About 3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide

3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide (PubChem CID 68547973) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide
PubChem CID68547973
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(O)C(c1ccccc1)N(C)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2/c1-19-17(22)16(21)15(12-6-4-3-5-7-12)20(2)14-10-8-13(18)9-11-14/h3-11,15-16,21H,1-2H3,(H,19,22)
InChIKeyDHMLNZBDPYQQAT-UHFFFAOYSA-N
XLogP2.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide (CID 68547973) is 3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide is CNC(=O)C(O)C(c1ccccc1)N(C)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide?
The InChIKey is DHMLNZBDPYQQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-19-17(22)16(21)15(12-6-4-3-5-7-12)20(2)14-10-8-13(18)9-11-14/h3-11,15-16,21H,1-2H3,(H,19,22).
What are the key properties of 3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide?
3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide has a molecular weight of 302.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-methylanilino)-2-hydroxy-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 68547973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).