N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide

C22H18Cl2N2O2 — CID 108500761

IUPACN',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H18Cl2N2O2/c23-18-12-7-13-19(20(18)24)25-21(27)22(28)26(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,25,27)
InChIKeyYJMIPKPMFMPPQC-UHFFFAOYSA-N
MW413.30 g/mol
LogP5.16
Rot. Bonds5

About N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide

N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide (PubChem CID 108500761) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide
PubChem CID108500761
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC NameN',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H18Cl2N2O2/c23-18-12-7-13-19(20(18)24)25-21(27)22(28)26(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,25,27)
InChIKeyYJMIPKPMFMPPQC-UHFFFAOYSA-N
XLogP5.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.30
LogP ≤ 55.16
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-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732
N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
CID 108500995
N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide
CID 108502823
N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide
CID 108523701
N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
CID 108523708
(Z)-3-[benzyl(ethyl)amino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825168
N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975622
1,1-dibenzyl-3-(2-chloro-6-fluorophenyl)urea
CID 108896524
N-(2,3-dichlorophenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021867
3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide?
The IUPAC name of N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide (CID 108500761) is N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide.
What is the SMILES notation for N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide?
The canonical SMILES for N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide is O=C(Nc1cccc(Cl)c1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide?
The InChIKey is YJMIPKPMFMPPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c23-18-12-7-13-19(20(18)24)25-21(27)22(28)26(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,25,27).
What are the key properties of N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide?
N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide has a molecular weight of 413.30 g/mol, XLogP of 5.16, 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-(2,3-dichlorophenyl)oxamide is sourced from PubChem (CID 108500761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).