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

C16H14ClFN2O3 — CID 110893726

IUPACN'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
SMILESO=C(NCC(O)c1ccccc1F)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H14ClFN2O3/c17-11-6-2-4-8-13(11)20-16(23)15(22)19-9-14(21)10-5-1-3-7-12(10)18/h1-8,14,21H,9H2,(H,19,22)(H,20,23)
InChIKeyYZAQPNIJOSXHAV-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.27
Rot. Bonds4

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

N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide (PubChem CID 110893726) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
PubChem CID110893726
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC NameN'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
SMILESO=C(NCC(O)c1ccccc1F)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H14ClFN2O3/c17-11-6-2-4-8-13(11)20-16(23)15(22)19-9-14(21)10-5-1-3-7-12(10)18/h1-8,14,21H,9H2,(H,19,22)(H,20,23)
InChIKeyYZAQPNIJOSXHAV-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'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893729
N'-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 56765505
N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 95368316
N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 97040699
1-(4-chloro-2-fluorophenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 75876611
N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 95775664
N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108500285
N'-(2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893763
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890317
N'-(2-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534882

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide (CID 110893726) is N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide is O=C(NCC(O)c1ccccc1F)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide?
The InChIKey is YZAQPNIJOSXHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c17-11-6-2-4-8-13(11)20-16(23)15(22)19-9-14(21)10-5-1-3-7-12(10)18/h1-8,14,21H,9H2,(H,19,22)(H,20,23).
What are the key properties of N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide?
N'-(2-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'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide is sourced from PubChem (CID 110893726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).