N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide

C15H19Cl2N3O3 — CID 108944127

IUPACN'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
SMILESO=C(CC(=O)Nc1cc(Cl)cc(Cl)c1)NCCN1CCOCC1
InChIInChI=1S/C15H19Cl2N3O3/c16-11-7-12(17)9-13(8-11)19-15(22)10-14(21)18-1-2-20-3-5-23-6-4-20/h7-9H,1-6,10H2,(H,18,21)(H,19,22)
InChIKeySXQZBVSVDAJTDK-UHFFFAOYSA-N
MW360.24 g/mol
LogP1.77
Rot. Bonds6

About N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide

N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide (PubChem CID 108944127) has the molecular formula C15H19Cl2N3O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
PubChem CID108944127
Molecular FormulaC15H19Cl2N3O3
Molecular Weight360.24 g/mol
Exact Mass359.08
IUPAC NameN'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
SMILESO=C(CC(=O)Nc1cc(Cl)cc(Cl)c1)NCCN1CCOCC1
InChIInChI=1S/C15H19Cl2N3O3/c16-11-7-12(17)9-13(8-11)19-15(22)10-14(21)18-1-2-20-3-5-23-6-4-20/h7-9H,1-6,10H2,(H,18,21)(H,19,22)
InChIKeySXQZBVSVDAJTDK-UHFFFAOYSA-N
XLogP1.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944084
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 22932427
2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994936
4-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113106095
1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973663
N-(3,5-dichlorophenyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115633
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564729
trans-(1S,2S)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564727
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564726

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
The IUPAC name of N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide (CID 108944127) is N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
The canonical SMILES for N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide is O=C(CC(=O)Nc1cc(Cl)cc(Cl)c1)NCCN1CCOCC1.
What is the InChIKey of N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
The InChIKey is SXQZBVSVDAJTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O3/c16-11-7-12(17)9-13(8-11)19-15(22)10-14(21)18-1-2-20-3-5-23-6-4-20/h7-9H,1-6,10H2,(H,18,21)(H,19,22).
What are the key properties of N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide has a molecular weight of 360.24 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide is sourced from PubChem (CID 108944127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).