N'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide

C17H16F2N2O3 — CID 56765309

IUPACN'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
SMILESO=C(NCC(O)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2N2O3/c18-14-7-6-12(9-15(14)19)21-17(24)16(23)20-10-13(22)8-11-4-2-1-3-5-11/h1-7,9,13,22H,8,10H2,(H,20,23)(H,21,24)
InChIKeyYKVGAKJNSCGPNS-UHFFFAOYSA-N
MW334.32 g/mol
LogP1.62
Rot. Bonds5

About N'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide

N'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide (PubChem CID 56765309) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
PubChem CID56765309
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
SMILESO=C(NCC(O)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2N2O3/c18-14-7-6-12(9-15(14)19)21-17(24)16(23)20-10-13(22)8-11-4-2-1-3-5-11/h1-7,9,13,22H,8,10H2,(H,20,23)(H,21,24)
InChIKeyYKVGAKJNSCGPNS-UHFFFAOYSA-N
XLogP1.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 51.62
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'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
The IUPAC name of N'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide (CID 56765309) is N'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
The canonical SMILES for N'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide is O=C(NCC(O)Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
The InChIKey is YKVGAKJNSCGPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-14-7-6-12(9-15(14)19)21-17(24)16(23)20-10-13(22)8-11-4-2-1-3-5-11/h1-7,9,13,22H,8,10H2,(H,20,23)(H,21,24).
What are the key properties of N'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide?
N'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide has a molecular weight of 334.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide is sourced from PubChem (CID 56765309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).