N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide

C20H22ClN3O4 — CID 108527534

IUPACN'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H22ClN3O4/c1-13-11-16(18(27-2)12-14(13)21)23-20(26)19(25)22-15-5-3-4-6-17(15)24-7-9-28-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyGXDRCAKMGLOMRA-UHFFFAOYSA-N
MW403.87 g/mol
LogP3.07
Rot. Bonds4

About N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide

N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide (PubChem CID 108527534) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide
PubChem CID108527534
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H22ClN3O4/c1-13-11-16(18(27-2)12-14(13)21)23-20(26)19(25)22-15-5-3-4-6-17(15)24-7-9-28-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyGXDRCAKMGLOMRA-UHFFFAOYSA-N
XLogP3.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.07
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

3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108532298
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380
2-(5-chloro-2-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 99144350
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
(3S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26268983
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045550
N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-ylbenzamide
CID 48980598
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide
CID 108501670
N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108527553
2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108507752

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide?
The IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide (CID 108527534) is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide.
What is the SMILES notation for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide?
The canonical SMILES for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide is COc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide?
The InChIKey is GXDRCAKMGLOMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-13-11-16(18(27-2)12-14(13)21)23-20(26)19(25)22-15-5-3-4-6-17(15)24-7-9-28-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide?
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide has a molecular weight of 403.87 g/mol, XLogP of 3.07, 4 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-(2-morpholin-4-ylphenyl)oxamide is sourced from PubChem (CID 108527534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).