1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide

C14H16Cl2N2O3 — CID 109133069

IUPAC1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
SMILESCOCCNC(=O)C1CC1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c1-21-5-4-17-13(19)9-7-10(9)14(20)18-12-6-8(15)2-3-11(12)16/h2-3,6,9-10H,4-5,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyAGMHJOWNBDDPGT-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.33
Rot. Bonds6

About 1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide

1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133069) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133069
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
SMILESCOCCNC(=O)C1CC1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c1-21-5-4-17-13(19)9-7-10(9)14(20)18-12-6-8(15)2-3-11(12)16/h2-3,6,9-10H,4-5,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyAGMHJOWNBDDPGT-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(2,5-dichlorophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130599
2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109133081
1-N-(2,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133061
1-N-(2,5-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136510
2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270465
1-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133083
1-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133945
4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146575
1-N-(2,5-dichlorophenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135271
1-N-(2-ethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132991
1-N-(2,5-dichlorophenyl)-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140988
1-N-(2,5-dichlorophenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143403

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide (CID 109133069) is 1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide is COCCNC(=O)C1CC1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is AGMHJOWNBDDPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-21-5-4-17-13(19)9-7-10(9)14(20)18-12-6-8(15)2-3-11(12)16/h2-3,6,9-10H,4-5,7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide?
1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 331.20 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dichlorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).