N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide

C19H20BrN3O3 — CID 108527541

IUPACN-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccccc2N2CCOCC2)c(Br)c1
InChIInChI=1S/C19H20BrN3O3/c1-13-6-7-15(14(20)12-13)21-18(24)19(25)22-16-4-2-3-5-17(16)23-8-10-26-11-9-23/h2-7,12H,8-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyAUITUEQAYMILGX-UHFFFAOYSA-N
MW418.29 g/mol
LogP3.17
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide

N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide (PubChem CID 108527541) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
PubChem CID108527541
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC NameN-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccccc2N2CCOCC2)c(Br)c1
InChIInChI=1S/C19H20BrN3O3/c1-13-6-7-15(14(20)12-13)21-18(24)19(25)22-16-4-2-3-5-17(16)23-8-10-26-11-9-23/h2-7,12H,8-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyAUITUEQAYMILGX-UHFFFAOYSA-N
XLogP3.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 53.17
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-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108527553
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
2-(2-bromoanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109010619
N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527465
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 75618828
1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141794
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527534
4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 17459754
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108517102
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide (CID 108527541) is N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2ccccc2N2CCOCC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The InChIKey is AUITUEQAYMILGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-13-6-7-15(14(20)12-13)21-18(24)19(25)22-16-4-2-3-5-17(16)23-8-10-26-11-9-23/h2-7,12H,8-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide has a molecular weight of 418.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide is sourced from PubChem (CID 108527541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).