N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide

C20H23ClN2O4 — CID 108530208

IUPACN-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)Nc2ccccc2C(C)(C)C)c(OC)cc1Cl
InChIInChI=1S/C20H23ClN2O4/c1-20(2,3)12-8-6-7-9-14(12)22-18(24)19(25)23-15-11-16(26-4)13(21)10-17(15)27-5/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeyURMCVFHRTIRXFB-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.23
Rot. Bonds4

About N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide

N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide (PubChem CID 108530208) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide
PubChem CID108530208
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)Nc2ccccc2C(C)(C)C)c(OC)cc1Cl
InChIInChI=1S/C20H23ClN2O4/c1-20(2,3)12-8-6-7-9-14(12)22-18(24)19(25)23-15-11-16(26-4)13(21)10-17(15)27-5/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeyURMCVFHRTIRXFB-UHFFFAOYSA-N
XLogP4.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514378
N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108506924
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509414
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108532290
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526291
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 108511701
N'-(2-tert-butylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
CID 108985894
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 2259133
4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide
CID 119399937
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108532288

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide?
The IUPAC name of N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide (CID 108530208) is N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide is COc1cc(NC(=O)C(=O)Nc2ccccc2C(C)(C)C)c(OC)cc1Cl.
What is the InChIKey of N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide?
The InChIKey is URMCVFHRTIRXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-20(2,3)12-8-6-7-9-14(12)22-18(24)19(25)23-15-11-16(26-4)13(21)10-17(15)27-5/h6-11H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide?
N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide has a molecular weight of 390.87 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide is sourced from PubChem (CID 108530208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).