N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide

C20H23ClN2O2 — CID 108985809

IUPACN'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
SMILESCC(C)(C)c1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-20(2,3)15-6-10-17(11-7-15)23-19(25)18(24)22-13-12-14-4-8-16(21)9-5-14/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRQDULYOOCJZSSE-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.93
Rot. Bonds4

About N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide

N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide (PubChem CID 108985809) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
PubChem CID108985809
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
SMILESCC(C)(C)c1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-20(2,3)15-6-10-17(11-7-15)23-19(25)18(24)22-13-12-14-4-8-16(21)9-5-14/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRQDULYOOCJZSSE-UHFFFAOYSA-N
XLogP3.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.93
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-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585522
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822
N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60611333
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985815
N-[2-(4-chlorophenyl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 7292818
N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108965059
tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate
CID 9268246
N-[2-(4-chlorophenyl)ethyl]-N'-(cyanomethyl)oxamide
CID 61380619
4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid
CID 108891822

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide?
The IUPAC name of N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide (CID 108985809) is N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide?
The canonical SMILES for N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide is CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide?
The InChIKey is RQDULYOOCJZSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-20(2,3)15-6-10-17(11-7-15)23-19(25)18(24)22-13-12-14-4-8-16(21)9-5-14/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide?
N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide has a molecular weight of 358.87 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide is sourced from PubChem (CID 108985809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).