N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide

C18H18F2N2O2 — CID 108511128

IUPACN-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C18H18F2N2O2/c1-3-12-4-6-13(7-5-12)11(2)21-17(23)18(24)22-16-10-14(19)8-9-15(16)20/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBFSQYRCINAALEF-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.34
Rot. Bonds4

About N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide

N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide (PubChem CID 108511128) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
PubChem CID108511128
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC NameN-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C18H18F2N2O2/c1-3-12-4-6-13(7-5-12)11(2)21-17(23)18(24)22-16-10-14(19)8-9-15(16)20/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBFSQYRCINAALEF-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.34
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-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide
CID 44998519
N-(2,4-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108502742
N-(5-chloro-2-methylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510908
N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide
CID 86996341
N-(4-bromo-2-methylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511113
N-(3,5-dimethylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511070
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511055
N-(2,3-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108500692
N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51959353
N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide
CID 43906812
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide?
The IUPAC name of N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide (CID 108511128) is N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide is CCc1ccc(C(C)NC(=O)C(=O)Nc2cc(F)ccc2F)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide?
The InChIKey is BFSQYRCINAALEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-3-12-4-6-13(7-5-12)11(2)21-17(23)18(24)22-16-10-14(19)8-9-15(16)20/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide?
N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide has a molecular weight of 332.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide is sourced from PubChem (CID 108511128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).