N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide

C23H18ClF3N2O2 — CID 108523701

IUPACN',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H18ClF3N2O2/c24-18-11-12-20(19(13-18)23(25,26)27)28-21(30)22(31)29(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,28,30)
InChIKeyDYAOYRDKLAJJMQ-UHFFFAOYSA-N
MW446.86 g/mol
LogP5.53
Rot. Bonds5

About N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide

N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide (PubChem CID 108523701) has the molecular formula C23H18ClF3N2O2 and a molecular weight of 446.86 g/mol. Its IUPAC name is N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide
PubChem CID108523701
Molecular FormulaC23H18ClF3N2O2
Molecular Weight446.86 g/mol
Exact Mass446.10
IUPAC NameN',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H18ClF3N2O2/c24-18-11-12-20(19(13-18)23(25,26)27)28-21(30)22(31)29(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,28,30)
InChIKeyDYAOYRDKLAJJMQ-UHFFFAOYSA-N
XLogP5.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.86
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide
CID 108523839
1-benzyl-3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylurea
CID 108988898
3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 109020666
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-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide
CID 108502823
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',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide
CID 108500761
3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 110294989
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036576

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide (CID 108523701) is N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide?
The InChIKey is DYAOYRDKLAJJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N2O2/c24-18-11-12-20(19(13-18)23(25,26)27)28-21(30)22(31)29(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,28,30).
What are the key properties of N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide?
N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide has a molecular weight of 446.86 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108523701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).