N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide

C23H25ClN4O3 — CID 166232426

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide
SMILESCn1ccc2ccc(NC(=O)C(=O)NCC(c3ccc(Cl)cc3)N3CCOCC3)cc21
InChIInChI=1S/C23H25ClN4O3/c1-27-9-8-17-4-7-19(14-20(17)27)26-23(30)22(29)25-15-21(28-10-12-31-13-11-28)16-2-5-18(24)6-3-16/h2-9,14,21H,10-13,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyVKKRYHWKGYLVLL-UHFFFAOYSA-N
MW440.93 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide (PubChem CID 166232426) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide
PubChem CID166232426
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide
SMILESCn1ccc2ccc(NC(=O)C(=O)NCC(c3ccc(Cl)cc3)N3CCOCC3)cc21
InChIInChI=1S/C23H25ClN4O3/c1-27-9-8-17-4-7-19(14-20(17)27)26-23(30)22(29)25-15-21(28-10-12-31-13-11-28)16-2-5-18(24)6-3-16/h2-9,14,21H,10-13,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyVKKRYHWKGYLVLL-UHFFFAOYSA-N
XLogP2.96
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 52.96
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-chlorophenyl)-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 18583635
N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932435
N'-(4-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30631458
N'-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 16830345
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835218
N'-(4-chloro-3-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxamide
CID 46199765
N'-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932466
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N'-(3,4-dimethylphenyl)oxamide
CID 7192699
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835189
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N'-(3-fluoro-4-methylphenyl)oxamide
CID 7192732
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 18589313
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide (CID 166232426) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide is Cn1ccc2ccc(NC(=O)C(=O)NCC(c3ccc(Cl)cc3)N3CCOCC3)cc21.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide?
The InChIKey is VKKRYHWKGYLVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-27-9-8-17-4-7-19(14-20(17)27)26-23(30)22(29)25-15-21(28-10-12-31-13-11-28)16-2-5-18(24)6-3-16/h2-9,14,21H,10-13,15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide has a molecular weight of 440.93 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide is sourced from PubChem (CID 166232426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).