N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide

C18H19ClN2O4 — CID 108985903

IUPACN'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-11-4-6-13(9-14(11)19)21-18(23)17(22)20-10-12-5-7-15(24-2)16(8-12)25-3/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCSQFGNUGRINACO-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.92
Rot. Bonds5

About N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide

N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide (PubChem CID 108985903) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
PubChem CID108985903
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-11-4-6-13(9-14(11)19)21-18(23)17(22)20-10-12-5-7-15(24-2)16(8-12)25-3/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCSQFGNUGRINACO-UHFFFAOYSA-N
XLogP2.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.92
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'-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2250005
N-[[4-chloro-3-(fluoromethyl)phenyl]methyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 118494419
1-(3-chloro-4-methylphenyl)-3-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]thiourea
CID 100668268
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 108984615
1-(4-amino-3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896754
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide
CID 108985884
N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7585276
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide
CID 56765611
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide (CID 108985903) is N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide?
The InChIKey is CSQFGNUGRINACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-11-4-6-13(9-14(11)19)21-18(23)17(22)20-10-12-5-7-15(24-2)16(8-12)25-3/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide?
N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide has a molecular weight of 362.81 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide is sourced from PubChem (CID 108985903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).