N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide

C19H21FN2O3 — CID 97428501

IUPACN-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
SMILESCO[C@](C)(CNC(=O)C(=O)NCc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H21FN2O3/c1-19(25-2,15-10-6-7-11-16(15)20)13-22-18(24)17(23)21-12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,21,23)(H,22,24)/t19-/m1/s1
InChIKeyUAJMZRBLDRLEAH-LJQANCHMSA-N
MW344.39 g/mol
LogP2.12
Rot. Bonds6

About N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide

N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide (PubChem CID 97428501) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
PubChem CID97428501
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
SMILESCO[C@](C)(CNC(=O)C(=O)NCc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H21FN2O3/c1-19(25-2,15-10-6-7-11-16(15)20)13-22-18(24)17(23)21-12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,21,23)(H,22,24)/t19-/m1/s1
InChIKeyUAJMZRBLDRLEAH-LJQANCHMSA-N
XLogP2.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide?
The IUPAC name of N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide (CID 97428501) is N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide.
What is the SMILES notation for N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide?
The canonical SMILES for N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide is CO[C@](C)(CNC(=O)C(=O)NCc1ccccc1)c1ccccc1F.
What is the InChIKey of N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide?
The InChIKey is UAJMZRBLDRLEAH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-19(25-2,15-10-6-7-11-16(15)20)13-22-18(24)17(23)21-12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,21,23)(H,22,24)/t19-/m1/s1.
What are the key properties of N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide?
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide has a molecular weight of 344.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide is sourced from PubChem (CID 97428501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).