N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide

C17H16ClFN2O3 — CID 56765401

IUPACN'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16ClFN2O3/c1-17(24,11-5-3-2-4-6-11)10-20-15(22)16(23)21-12-7-8-14(19)13(18)9-12/h2-9,24H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyYNFTUBZBYIQHRY-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.44
Rot. Bonds4

About N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide

N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide (PubChem CID 56765401) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
PubChem CID56765401
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16ClFN2O3/c1-17(24,11-5-3-2-4-6-11)10-20-15(22)16(23)21-12-7-8-14(19)13(18)9-12/h2-9,24H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyYNFTUBZBYIQHRY-UHFFFAOYSA-N
XLogP2.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.44
H-Bond Donors ≤ 53
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'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide (CID 56765401) is N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide is CC(O)(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide?
The InChIKey is YNFTUBZBYIQHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-17(24,11-5-3-2-4-6-11)10-20-15(22)16(23)21-12-7-8-14(19)13(18)9-12/h2-9,24H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide?
N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide has a molecular weight of 350.78 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide is sourced from PubChem (CID 56765401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).