1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide

C14H16Cl2N2O3 — CID 108972836

IUPAC1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
SMILESCOCCNC(=O)C1(C(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-21-8-7-17-12(19)14(5-6-14)13(20)18-10-4-2-3-9(15)11(10)16/h2-4H,5-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyMAWUIRWBPDALOE-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.47
Rot. Bonds6

About 1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide

1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108972836) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108972836
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
SMILESCOCCNC(=O)C1(C(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-21-8-7-17-12(19)14(5-6-14)13(20)18-10-4-2-3-9(15)11(10)16/h2-4H,5-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyMAWUIRWBPDALOE-UHFFFAOYSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide
CID 620497
1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972742
1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983092
1-(2,3-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8669095
1-N-(2,3-dichlorophenyl)-1-N'-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981367
1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974716
1-N'-(2,3-dichlorophenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977068
1-N-(3-chloro-4-methylphenyl)-1-N'-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982818
1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971543
1-N'-(2,3-dichlorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983179
1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972809
1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979784

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide (CID 108972836) is 1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide is COCCNC(=O)C1(C(=O)Nc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is MAWUIRWBPDALOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-21-8-7-17-12(19)14(5-6-14)13(20)18-10-4-2-3-9(15)11(10)16/h2-4H,5-8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 331.20 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).