N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide

C17H17ClN2O5 — CID 108987070

IUPACN-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C17H17ClN2O5/c1-23-13-8-12(9-14(24-2)15(13)25-3)20-17(22)16(21)19-11-6-4-5-10(18)7-11/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyAYYCCQGOTBZXDH-UHFFFAOYSA-N
MW364.79 g/mol
LogP2.94
Rot. Bonds5

About N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide

N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide (PubChem CID 108987070) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
PubChem CID108987070
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC NameN-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C17H17ClN2O5/c1-23-13-8-12(9-14(24-2)15(13)25-3)20-17(22)16(21)19-11-6-4-5-10(18)7-11/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyAYYCCQGOTBZXDH-UHFFFAOYSA-N
XLogP2.94
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987482
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793058
N-(3-chlorophenyl)-3,4,5-trimethoxyaniline
CID 102029180
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
1-(3-chlorophenyl)-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 19172582
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
methyl N-(3-chlorophenyl)carbamate
CID 16529
N-(3-chlorophenyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3-dihydroimidazole-4-carboxamide
CID 54586567
N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987472
N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 136693036

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide (CID 108987070) is N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide is COc1cc(NC(=O)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
The InChIKey is AYYCCQGOTBZXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-23-13-8-12(9-14(24-2)15(13)25-3)20-17(22)16(21)19-11-6-4-5-10(18)7-11/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide?
N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide has a molecular weight of 364.79 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide is sourced from PubChem (CID 108987070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).