1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide

C15H17ClN2O3 — CID 109130939

IUPAC1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)NC2CC2)cc1Cl
InChIInChI=1S/C15H17ClN2O3/c1-21-13-5-4-9(6-12(13)16)18-15(20)11-7-10(11)14(19)17-8-2-3-8/h4-6,8,10-11H,2-3,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyHVFVJFMFBCFCSB-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.20
Rot. Bonds5

About 1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide

1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide (PubChem CID 109130939) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
PubChem CID109130939
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)NC2CC2)cc1Cl
InChIInChI=1S/C15H17ClN2O3/c1-21-13-5-4-9(6-12(13)16)18-15(20)11-7-10(11)14(19)17-8-2-3-8/h4-6,8,10-11H,2-3,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyHVFVJFMFBCFCSB-UHFFFAOYSA-N
XLogP2.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142934
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143254
1-N-(3-chloro-4-methoxyphenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143261
2-N-(3-chloro-4-methoxyphenyl)-1-N-(4-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143096
2-N-cyclopentyl-1-N-(3,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132157
2-N-cyclopropyl-1-N-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130913
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380
2-N-(3-chloro-4-methoxyphenyl)-1-N-(3-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143267
1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050788
N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66761959
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide (CID 109130939) is 1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide is COc1ccc(NC(=O)C2CC2C(=O)NC2CC2)cc1Cl.
What is the InChIKey of 1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide?
The InChIKey is HVFVJFMFBCFCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-21-13-5-4-9(6-12(13)16)18-15(20)11-7-10(11)14(19)17-8-2-3-8/h4-6,8,10-11H,2-3,7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide?
1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide has a molecular weight of 308.77 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-methoxyphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109130939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).