1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide

C16H18Cl2N2O3 — CID 109133618

IUPAC1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCC1CCCO1)C1CC1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H18Cl2N2O3/c17-12-4-1-5-13(18)14(12)20-16(22)11-7-10(11)15(21)19-8-9-3-2-6-23-9/h1,4-5,9-11H,2-3,6-8H2,(H,19,21)(H,20,22)
InChIKeyYZZJKTBWHKBJJD-UHFFFAOYSA-N
MW357.24 g/mol
LogP2.86
Rot. Bonds5

About 1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide

1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133618) has the molecular formula C16H18Cl2N2O3 and a molecular weight of 357.24 g/mol. Its IUPAC name is 1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133618
Molecular FormulaC16H18Cl2N2O3
Molecular Weight357.24 g/mol
Exact Mass356.07
IUPAC Name1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCC1CCCO1)C1CC1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H18Cl2N2O3/c17-12-4-1-5-13(18)14(12)20-16(22)11-7-10(11)15(21)19-8-9-3-2-6-23-9/h1,4-5,9-11H,2-3,6-8H2,(H,19,21)(H,20,22)
InChIKeyYZZJKTBWHKBJJD-UHFFFAOYSA-N
XLogP2.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133527
2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133590
1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133579
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133630
methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109133582
4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083381
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 41098263
1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131195
1-N-(2,6-dichlorophenyl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131584
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109133618) is 1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide is O=C(NCC1CCCO1)C1CC1C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is YZZJKTBWHKBJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O3/c17-12-4-1-5-13(18)14(12)20-16(22)11-7-10(11)15(21)19-8-9-3-2-6-23-9/h1,4-5,9-11H,2-3,6-8H2,(H,19,21)(H,20,22).
What are the key properties of 1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 357.24 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).