1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide

C18H24ClN3O4 — CID 109133907

IUPAC1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C18H24ClN3O4/c1-25-16-3-2-12(10-15(16)19)21-18(24)14-11-13(14)17(23)20-4-5-22-6-8-26-9-7-22/h2-3,10,13-14H,4-9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyRWJFSPZNIDHJCZ-UHFFFAOYSA-N
MW381.86 g/mol
LogP1.37
Rot. Bonds7

About 1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide

1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133907) has the molecular formula C18H24ClN3O4 and a molecular weight of 381.86 g/mol. Its IUPAC name is 1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133907
Molecular FormulaC18H24ClN3O4
Molecular Weight381.86 g/mol
Exact Mass381.15
IUPAC Name1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C18H24ClN3O4/c1-25-16-3-2-12(10-15(16)19)21-18(24)14-11-13(14)17(23)20-4-5-22-6-8-26-9-7-22/h2-3,10,13-14H,4-9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyRWJFSPZNIDHJCZ-UHFFFAOYSA-N
XLogP1.37
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(4-ethylphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133886
N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185866
1-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132844
1-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133945
N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944084
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142934
1-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137754
1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8618840
1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133953
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143254
1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130939
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide (CID 109133907) is 1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide is COc1ccc(NC(=O)C2CC2C(=O)NCCN2CCOCC2)cc1Cl.
What is the InChIKey of 1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is RWJFSPZNIDHJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O4/c1-25-16-3-2-12(10-15(16)19)21-18(24)14-11-13(14)17(23)20-4-5-22-6-8-26-9-7-22/h2-3,10,13-14H,4-9,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 381.86 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).