N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide

C21H24ClN3O3 — CID 16891698

IUPACN'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H24ClN3O3/c1-15-18(22)3-2-4-19(15)24-21(27)20(26)23-10-9-16-5-7-17(8-6-16)25-11-13-28-14-12-25/h2-8H,9-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyQJGYIGUJXJDGCU-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.78
Rot. Bonds5

About N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide

N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide (PubChem CID 16891698) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
PubChem CID16891698
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H24ClN3O3/c1-15-18(22)3-2-4-19(15)24-21(27)20(26)23-10-9-16-5-7-17(8-6-16)25-11-13-28-14-12-25/h2-8H,9-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyQJGYIGUJXJDGCU-UHFFFAOYSA-N
XLogP2.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-2-methylphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]oxamide
CID 16891358
N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 7585286
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-N'-(2-chlorophenyl)oxamide
CID 16891452
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 16891528
N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585293
N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891703
N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892183
N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide
CID 4607386
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-chlorophenyl)oxamide
CID 16891953
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
N'-(2,5-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891638
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide (CID 16891698) is N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
The InChIKey is QJGYIGUJXJDGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-15-18(22)3-2-4-19(15)24-21(27)20(26)23-10-9-16-5-7-17(8-6-16)25-11-13-28-14-12-25/h2-8H,9-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide?
N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide has a molecular weight of 401.89 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide is sourced from PubChem (CID 16891698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).