N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide

C19H21FN2O3 — CID 50967433

IUPACN'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide
SMILESCC(CO)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-14(13-23)11-22(12-15-5-3-2-4-6-15)19(25)18(24)21-17-9-7-16(20)8-10-17/h2-10,14,23H,11-13H2,1H3,(H,21,24)
InChIKeyAQBPABMENRIJBZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.42
Rot. Bonds6

About N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide

N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide (PubChem CID 50967433) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide
PubChem CID50967433
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide
SMILESCC(CO)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-14(13-23)11-22(12-15-5-3-2-4-6-15)19(25)18(24)21-17-9-7-16(20)8-10-17/h2-10,14,23H,11-13H2,1H3,(H,21,24)
InChIKeyAQBPABMENRIJBZ-UHFFFAOYSA-N
XLogP2.42
TPSA69.64 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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
CID 108523230
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
[(2S)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9252927
1-(2-aminoethyl)-1-benzyl-3-(4-fluorophenyl)urea
CID 61014415
N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide
CID 108523264
N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide
CID 108523235
N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide
CID 108519571
[4-[[2-[benzyl(ethyl)amino]-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108523229
N-benzyl-N-(3-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)propanamide
CID 46992721
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500524
N',N'-dibenzyl-N-(2-methylpropyl)oxamide
CID 108504849

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide?
The IUPAC name of N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide (CID 50967433) is N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide.
What is the SMILES notation for N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide?
The canonical SMILES for N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide is CC(CO)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide?
The InChIKey is AQBPABMENRIJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-14(13-23)11-22(12-15-5-3-2-4-6-15)19(25)18(24)21-17-9-7-16(20)8-10-17/h2-10,14,23H,11-13H2,1H3,(H,21,24).
What are the key properties of N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide?
N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide has a molecular weight of 344.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(4-fluorophenyl)-N'-(3-hydroxy-2-methylpropyl)oxamide is sourced from PubChem (CID 50967433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).