N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide

C17H16F2N2O3 — CID 167915427

IUPACN'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(O)c2cccc(F)c2)cc1F
InChIInChI=1S/C17H16F2N2O3/c1-10-5-6-13(8-14(10)19)21-17(24)16(23)20-9-15(22)11-3-2-4-12(18)7-11/h2-8,15,22H,9H2,1H3,(H,20,23)(H,21,24)
InChIKeySQTTVGCJEKNFQJ-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.06
Rot. Bonds4

About N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide

N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide (PubChem CID 167915427) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide
PubChem CID167915427
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(O)c2cccc(F)c2)cc1F
InChIInChI=1S/C17H16F2N2O3/c1-10-5-6-13(8-14(10)19)21-17(24)16(23)20-9-15(22)11-3-2-4-12(18)7-11/h2-8,15,22H,9H2,1H3,(H,20,23)(H,21,24)
InChIKeySQTTVGCJEKNFQJ-UHFFFAOYSA-N
XLogP2.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 95986752
N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496902
N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 71788710
N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
CID 2883346
N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60617251
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623188
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)acetamide
CID 51094283
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
CID 119306982
1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide (CID 167915427) is N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide is Cc1ccc(NC(=O)C(=O)NCC(O)c2cccc(F)c2)cc1F.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide?
The InChIKey is SQTTVGCJEKNFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-10-5-6-13(8-14(10)19)21-17(24)16(23)20-9-15(22)11-3-2-4-12(18)7-11/h2-8,15,22H,9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide?
N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide has a molecular weight of 334.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]oxamide is sourced from PubChem (CID 167915427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).