N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide

C18H16ClF3N2O3 — CID 108523839

IUPACN'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H16ClF3N2O3/c19-13-6-7-15(14(10-13)18(20,21)22)23-16(26)17(27)24(8-9-25)11-12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,23,26)
InChIKeySMDMWTDBXWAZQF-UHFFFAOYSA-N
MW400.78 g/mol
LogP3.32
Rot. Bonds5

About N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide

N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide (PubChem CID 108523839) has the molecular formula C18H16ClF3N2O3 and a molecular weight of 400.78 g/mol. Its IUPAC name is N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide
PubChem CID108523839
Molecular FormulaC18H16ClF3N2O3
Molecular Weight400.78 g/mol
Exact Mass400.08
IUPAC NameN'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H16ClF3N2O3/c19-13-6-7-15(14(10-13)18(20,21)22)23-16(26)17(27)24(8-9-25)11-12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,23,26)
InChIKeySMDMWTDBXWAZQF-UHFFFAOYSA-N
XLogP3.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.78
LogP ≤ 53.32
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',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide
CID 108523701
N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide
CID 108502823
3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 109020666
1-benzyl-3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylurea
CID 108988898
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide
CID 108518687
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide
CID 842100
N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
CID 108500995
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methyl-1-phenylurea
CID 108991173
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N'-benzyl-N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2-hydroxyethyl)oxamide
CID 108523848
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500524
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036576

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide?
The IUPAC name of N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide (CID 108523839) is N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide?
The InChIKey is SMDMWTDBXWAZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O3/c19-13-6-7-15(14(10-13)18(20,21)22)23-16(26)17(27)24(8-9-25)11-12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,23,26).
What are the key properties of N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide?
N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide has a molecular weight of 400.78 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108523839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).