N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide

C17H20Cl2N2O2 — CID 108502946

IUPACN'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1ccc(Cl)cc1Cl)C1CC2CCC1C2
InChIInChI=1S/C17H20Cl2N2O2/c1-9(13-7-10-2-3-11(13)6-10)20-16(22)17(23)21-15-5-4-12(18)8-14(15)19/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,20,22)(H,21,23)
InChIKeyJUHVCJPMCBRVIO-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.87
Rot. Bonds3

About N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide

N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide (PubChem CID 108502946) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide
PubChem CID108502946
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC NameN'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1ccc(Cl)cc1Cl)C1CC2CCC1C2
InChIInChI=1S/C17H20Cl2N2O2/c1-9(13-7-10-2-3-11(13)6-10)20-16(22)17(23)21-15-5-4-12(18)8-14(15)19/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,20,22)(H,21,23)
InChIKeyJUHVCJPMCBRVIO-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.87
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'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,5-dimethylphenyl)oxamide
CID 108531025
(2R)-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 98193770
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 98408205
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,5-dimethoxyphenyl)oxamide
CID 108512002
methyl 2-[[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108512533
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-chlorophenyl)urea
CID 3091316
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 4852472
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 129376608
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 129376605
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 98228227
1-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 98228228

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide?
The IUPAC name of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide (CID 108502946) is N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide.
What is the SMILES notation for N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide?
The canonical SMILES for N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide is CC(NC(=O)C(=O)Nc1ccc(Cl)cc1Cl)C1CC2CCC1C2.
What is the InChIKey of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide?
The InChIKey is JUHVCJPMCBRVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c1-9(13-7-10-2-3-11(13)6-10)20-16(22)17(23)21-15-5-4-12(18)8-14(15)19/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide?
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide has a molecular weight of 355.27 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,4-dichlorophenyl)oxamide is sourced from PubChem (CID 108502946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).