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

C16H13F3N2O3 — CID 45000476

IUPACN-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O3/c1-24-11-6-4-5-10(9-11)20-14(22)15(23)21-13-8-3-2-7-12(13)16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyFSDPSVBVOFOLMA-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.29
Rot. Bonds3

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

N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide (PubChem CID 45000476) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
PubChem CID45000476
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
SMILESCOc1cccc(NC(=O)C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O3/c1-24-11-6-4-5-10(9-11)20-14(22)15(23)21-13-8-3-2-7-12(13)16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyFSDPSVBVOFOLMA-UHFFFAOYSA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.29
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'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000453
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9030983
N'-(2-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 45000733
N-(3-methoxyphenyl)-N'-(2-phenoxyphenyl)oxamide
CID 108987248
N-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-enamide
CID 91220248
[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl] acetate
CID 108865068
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286355
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109221605
N-(3-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987238
6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358798
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide (CID 45000476) is N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide is COc1cccc(NC(=O)C(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide?
The InChIKey is FSDPSVBVOFOLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-24-11-6-4-5-10(9-11)20-14(22)15(23)21-13-8-3-2-7-12(13)16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide?
N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide has a molecular weight of 338.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 45000476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).