N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide

C13H14Cl2N2O2 — CID 2059042

IUPACN-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C13H14Cl2N2O2/c14-10-6-5-9(7-11(10)15)17-13(19)12(18)16-8-3-1-2-4-8/h5-8H,1-4H2,(H,16,18)(H,17,19)
InChIKeyDYFLGPVPCDXZSJ-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.99
Rot. Bonds2

About N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide

N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide (PubChem CID 2059042) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
PubChem CID2059042
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC NameN-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C13H14Cl2N2O2/c14-10-6-5-9(7-11(10)15)17-13(19)12(18)16-8-3-1-2-4-8/h5-8H,1-4H2,(H,16,18)(H,17,19)
InChIKeyDYFLGPVPCDXZSJ-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.99
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-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
CID 2058101
N-cyclopropyl-N'-(3,4-dichlorophenyl)oxamide
CID 2193894
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
CID 108504354
2-N-cyclopentyl-1-N-(3,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132157
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108959081
5-N-cyclopentyl-3-N-(3,4-dichlorophenyl)pyridine-3,5-dicarboxamide
CID 109102814
N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide
CID 167767569
N-cyclopentyl-N'-(3-hydroxyphenyl)oxamide
CID 44995644
N'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-N-cyclopentyloxamide
CID 75477414
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide?
The IUPAC name of N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide (CID 2059042) is N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide.
What is the SMILES notation for N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide?
The canonical SMILES for N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide?
The InChIKey is DYFLGPVPCDXZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c14-10-6-5-9(7-11(10)15)17-13(19)12(18)16-8-3-1-2-4-8/h5-8H,1-4H2,(H,16,18)(H,17,19).
What are the key properties of N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide?
N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide has a molecular weight of 301.17 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide is sourced from PubChem (CID 2059042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).