1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide

C17H22ClN3O3 — CID 108973663

IUPAC1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCN1CCOCC1)C1(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H22ClN3O3/c18-13-2-1-3-14(12-13)20-16(23)17(4-5-17)15(22)19-6-7-21-8-10-24-11-9-21/h1-3,12H,4-11H2,(H,19,22)(H,20,23)
InChIKeyOZUUCISKFQFXNE-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.51
Rot. Bonds6

About 1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide

1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108973663) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108973663
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCN1CCOCC1)C1(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H22ClN3O3/c18-13-2-1-3-14(12-13)20-16(23)17(4-5-17)15(22)19-6-7-21-8-10-24-11-9-21/h1-3,12H,4-11H2,(H,19,22)(H,20,23)
InChIKeyOZUUCISKFQFXNE-UHFFFAOYSA-N
XLogP1.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.51
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

1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636
1-N-(2-morpholin-4-ylethyl)-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108973686
1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973717
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973678
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096058
1-(3-chlorophenyl)-3-(2-morpholin-4-ylethoxy)urea
CID 110417399
N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944127
2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994936
1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982541
1-[(3-fluorophenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 6487869

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide (CID 108973663) is 1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide is O=C(NCCN1CCOCC1)C1(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is OZUUCISKFQFXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c18-13-2-1-3-14(12-13)20-16(23)17(4-5-17)15(22)19-6-7-21-8-10-24-11-9-21/h1-3,12H,4-11H2,(H,19,22)(H,20,23).
What are the key properties of 1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 351.83 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).