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

C14H16Cl2N2O2 — CID 2058101

IUPACN-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H16Cl2N2O2/c15-11-7-6-10(8-12(11)16)18-14(20)13(19)17-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,17,19)(H,18,20)
InChIKeyUGPVCEQKCSVSKY-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.38
Rot. Bonds2

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

N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide (PubChem CID 2058101) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
PubChem CID2058101
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC NameN-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H16Cl2N2O2/c15-11-7-6-10(8-12(11)16)18-14(20)13(19)17-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,17,19)(H,18,20)
InChIKeyUGPVCEQKCSVSKY-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.38
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-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
CID 2059042
N-cyclopropyl-N'-(3,4-dichlorophenyl)oxamide
CID 2193894
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
CID 108504354
N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108959081
2-N-cyclopentyl-1-N-(3,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132157
N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide
CID 167767569
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
N-cyclohexyl-N'-phenyloxamide
CID 2271218
N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide
CID 7585166
N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 6290483

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide?
The IUPAC name of N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide (CID 2058101) is N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide.
What is the SMILES notation for N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide?
The canonical SMILES for N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide?
The InChIKey is UGPVCEQKCSVSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-11-7-6-10(8-12(11)16)18-14(20)13(19)17-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,17,19)(H,18,20).
What are the key properties of N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide?
N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide has a molecular weight of 315.20 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide is sourced from PubChem (CID 2058101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).