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

C16H13F3N2O2 — CID 7292792

IUPACN'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13F3N2O2/c17-11-3-1-10(2-4-11)7-8-20-15(22)16(23)21-14-6-5-12(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,22)(H,21,23)
InChIKeyRQUXSSVXNSJJBC-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.40
Rot. Bonds4

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

N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide (PubChem CID 7292792) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
PubChem CID7292792
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC NameN'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
SMILESO=C(NCCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13F3N2O2/c17-11-3-1-10(2-4-11)7-8-20-15(22)16(23)21-14-6-5-12(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,22)(H,21,23)
InChIKeyRQUXSSVXNSJJBC-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504
N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892001
N'-(2,4-difluorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837342
N'-(4-chloro-2-fluorophenyl)-N-(2-phenylethyl)oxamide
CID 44999528
N'-(2,4-difluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7522151
N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide
CID 2986647
N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide
CID 86996766
N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541482
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide
CID 90558490
N'-(2-ethoxy-4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 86812675

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide (CID 7292792) is N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide is O=C(NCCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide?
The InChIKey is RQUXSSVXNSJJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-11-3-1-10(2-4-11)7-8-20-15(22)16(23)21-14-6-5-12(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,22)(H,21,23).
What are the key properties of N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide?
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide has a molecular weight of 322.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide is sourced from PubChem (CID 7292792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).