N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide

C15H21ClN4O3 — CID 108532474

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C15H21ClN4O3/c1-10-8-12(13(23-3)9-11(10)16)17-14(21)15(22)18-20-6-4-19(2)5-7-20/h8-9H,4-7H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyQNMHGMJRDKMXNJ-UHFFFAOYSA-N
MW340.81 g/mol
LogP0.87
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide (PubChem CID 108532474) has the molecular formula C15H21ClN4O3 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
PubChem CID108532474
Molecular FormulaC15H21ClN4O3
Molecular Weight340.81 g/mol
Exact Mass340.13
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C15H21ClN4O3/c1-10-8-12(13(23-3)9-11(10)16)17-14(21)15(22)18-20-6-4-19(2)5-7-20/h8-9H,4-7H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyQNMHGMJRDKMXNJ-UHFFFAOYSA-N
XLogP0.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 50.87
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-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944484
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366997
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108532298
4-(4-chloro-2-methoxy-5-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991531
N-(4-bromo-2-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532468
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
N'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108531425
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523071
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527534
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108525666
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 108988465

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide (CID 108532474) is N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide is COc1cc(Cl)c(C)cc1NC(=O)C(=O)NN1CCN(C)CC1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The InChIKey is QNMHGMJRDKMXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O3/c1-10-8-12(13(23-3)9-11(10)16)17-14(21)15(22)18-20-6-4-19(2)5-7-20/h8-9H,4-7H2,1-3H3,(H,17,21)(H,18,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide has a molecular weight of 340.81 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide is sourced from PubChem (CID 108532474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).