N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide

C13H16Cl2N2O2 — CID 4167970

IUPACN'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-8(2)3-4-16-12(18)13(19)17-11-6-9(14)5-10(15)7-11/h5-8H,3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyNBWDAGBGBBOKQJ-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.09
Rot. Bonds4

About N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide

N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide (PubChem CID 4167970) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide
PubChem CID4167970
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-8(2)3-4-16-12(18)13(19)17-11-6-9(14)5-10(15)7-11/h5-8H,3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyNBWDAGBGBBOKQJ-UHFFFAOYSA-N
XLogP3.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490812
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
N'-(3,5-dichlorophenyl)-N-pentyloxamide
CID 4625739
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103
N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide
CID 47224746
N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530034
N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide
CID 111798695
N-(3,5-dichlorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333178
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N'-(4-hydroxy-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 108509660
1-(3,5-dichlorophenyl)-3-(6-methylheptan-2-yl)thiourea
CID 19652400
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide?
The IUPAC name of N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide (CID 4167970) is N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide?
The canonical SMILES for N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide is CC(C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide?
The InChIKey is NBWDAGBGBBOKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-8(2)3-4-16-12(18)13(19)17-11-6-9(14)5-10(15)7-11/h5-8H,3-4H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide?
N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide has a molecular weight of 303.19 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide is sourced from PubChem (CID 4167970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).