N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide

C16H14ClFN2O3 — CID 110893729

IUPACN'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
SMILESO=C(NCC(O)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFN2O3/c17-10-5-7-11(8-6-10)20-16(23)15(22)19-9-14(21)12-3-1-2-4-13(12)18/h1-8,14,21H,9H2,(H,19,22)(H,20,23)
InChIKeyPGBKSLMGEOJMKH-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.27
Rot. Bonds4

About N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide

N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide (PubChem CID 110893729) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
PubChem CID110893729
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC NameN'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
SMILESO=C(NCC(O)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFN2O3/c17-10-5-7-11(8-6-10)20-16(23)15(22)19-9-14(21)12-3-1-2-4-13(12)18/h1-8,14,21H,9H2,(H,19,22)(H,20,23)
InChIKeyPGBKSLMGEOJMKH-UHFFFAOYSA-N
XLogP2.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.27
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'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893726
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
1-(4-chloro-2-fluorophenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 75876611
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
CID 2883346
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51724842
N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497463
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea
CID 42958119
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]oxamide
CID 96530973

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide (CID 110893729) is N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide is O=C(NCC(O)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide?
The InChIKey is PGBKSLMGEOJMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c17-10-5-7-11(8-6-10)20-16(23)15(22)19-9-14(21)12-3-1-2-4-13(12)18/h1-8,14,21H,9H2,(H,19,22)(H,20,23).
What are the key properties of N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide?
N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide has a molecular weight of 336.75 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide is sourced from PubChem (CID 110893729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).