2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide

C19H19ClN2O4 — CID 109142885

IUPAC2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H19ClN2O4/c1-25-16-7-6-13(9-17(16)26-2)22-19(24)15-10-14(15)18(23)21-12-5-3-4-11(20)8-12/h3-9,14-15H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQTDBRLQGSUGZON-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.57
Rot. Bonds6

About 2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide

2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109142885) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109142885
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H19ClN2O4/c1-25-16-7-6-13(9-17(16)26-2)22-19(24)15-10-14(15)18(23)21-12-5-3-4-11(20)8-12/h3-9,14-15H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQTDBRLQGSUGZON-UHFFFAOYSA-N
XLogP3.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141860
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
1-N-(3-chloro-4-methoxyphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143261
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142934
2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143693
methyl 2-[[2-[(3-chlorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142893
2-N-(3-chloro-4-methoxyphenyl)-1-N-(3-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143267
2-N-(3-chloro-4-methoxyphenyl)-1-N-(4-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143096
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143254
1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133755

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109142885) is 2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide is COc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is QTDBRLQGSUGZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-25-16-7-6-13(9-17(16)26-2)22-19(24)15-10-14(15)18(23)21-12-5-3-4-11(20)8-12/h3-9,14-15H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 374.82 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).