N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide

C16H12F4N2O2 — CID 108985301

IUPACN-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide
SMILESO=C(NCCc1ccccc1F)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H12F4N2O2/c17-10-4-2-1-3-9(10)7-8-21-15(23)16(24)22-12-6-5-11(18)13(19)14(12)20/h1-6H,7-8H2,(H,21,23)(H,22,24)
InChIKeyNMSYMTQXTCMSDA-UHFFFAOYSA-N
MW340.28 g/mol
LogP2.54
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide

N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide (PubChem CID 108985301) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide
PubChem CID108985301
Molecular FormulaC16H12F4N2O2
Molecular Weight340.28 g/mol
Exact Mass340.08
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide
SMILESO=C(NCCc1ccccc1F)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H12F4N2O2/c17-10-4-2-1-3-9(10)7-8-21-15(23)16(24)22-12-6-5-11(18)13(19)14(12)20/h1-6H,7-8H2,(H,21,23)(H,22,24)
InChIKeyNMSYMTQXTCMSDA-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-fluorophenyl)ethylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 109000255
N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985302
N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 47224594
2-[[N-[2-(2-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111361100
methyl 4-chloro-3-[[2-[2-(2-fluorophenyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108985259
N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985279
N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2266097
methyl 3-[[2-[2-(2-fluorophenyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108985257
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985263
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide (CID 108985301) is N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide is O=C(NCCc1ccccc1F)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide?
The InChIKey is NMSYMTQXTCMSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c17-10-4-2-1-3-9(10)7-8-21-15(23)16(24)22-12-6-5-11(18)13(19)14(12)20/h1-6H,7-8H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide?
N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide has a molecular weight of 340.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide is sourced from PubChem (CID 108985301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).