N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide

C18H17F3N2O3 — CID 45000453

IUPACN-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESCOc1cccc(CCNC(=O)C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-26-13-6-4-5-12(11-13)9-10-22-16(24)17(25)23-15-8-3-2-7-14(15)18(19,20)21/h2-8,11H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyZLSHRPVTEBXBAP-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide

N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide (PubChem CID 45000453) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
PubChem CID45000453
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESCOc1cccc(CCNC(=O)C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-26-13-6-4-5-12(11-13)9-10-22-16(24)17(25)23-15-8-3-2-7-14(15)18(19,20)21/h2-8,11H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyZLSHRPVTEBXBAP-UHFFFAOYSA-N
XLogP3.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000476
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901052
N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985510
1-[2-(3-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886567
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
(Z)-4-[2-(3-methoxyphenyl)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107846613
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide
CID 44995985
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 44998421
N-ethyl-2-(3-methoxyphenyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357194
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide (CID 45000453) is N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide is COc1cccc(CCNC(=O)C(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
The InChIKey is ZLSHRPVTEBXBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-26-13-6-4-5-12(11-13)9-10-22-16(24)17(25)23-15-8-3-2-7-14(15)18(19,20)21/h2-8,11H,9-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide?
N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide has a molecular weight of 366.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 45000453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).