N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide

C20H18F6N2O2 — CID 108511055

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H18F6N2O2/c1-3-12-4-6-13(7-5-12)11(2)27-17(29)18(30)28-16-9-14(19(21,22)23)8-15(10-16)20(24,25)26/h4-11H,3H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyBPLIMCGFTZSQSC-UHFFFAOYSA-N
MW432.36 g/mol
LogP5.10
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide

N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide (PubChem CID 108511055) has the molecular formula C20H18F6N2O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide
PubChem CID108511055
Molecular FormulaC20H18F6N2O2
Molecular Weight432.36 g/mol
Exact Mass432.13
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H18F6N2O2/c1-3-12-4-6-13(7-5-12)11(2)27-17(29)18(30)28-16-9-14(19(21,22)23)8-15(10-16)20(24,25)26/h4-11H,3H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyBPLIMCGFTZSQSC-UHFFFAOYSA-N
XLogP5.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.36
LogP ≤ 55.10
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-(3,5-dimethylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511070
N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511128
N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510959
N-(2,4-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108502742
N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51959353
N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510914
N-(5-chloro-2-methylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510908
N-(4-bromo-2-methylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511113
N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108511024
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S)-1-(4-fluorophenyl)ethyl]thiourea
CID 135020508
N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936710
N-[3,5-bis(trifluoromethyl)phenyl]-2-methylbutanamide
CID 58825547

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide (CID 108511055) is N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide is CCc1ccc(C(C)NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide?
The InChIKey is BPLIMCGFTZSQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N2O2/c1-3-12-4-6-13(7-5-12)11(2)27-17(29)18(30)28-16-9-14(19(21,22)23)8-15(10-16)20(24,25)26/h4-11H,3H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide has a molecular weight of 432.36 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide is sourced from PubChem (CID 108511055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).