1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide

C14H14Cl2N2O2 — CID 109131195

IUPAC1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CC1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H14Cl2N2O2/c1-2-6-17-13(19)8-7-9(8)14(20)18-12-10(15)4-3-5-11(12)16/h2-5,8-9H,1,6-7H2,(H,17,19)(H,18,20)
InChIKeyMHOCOMCVNNVCHV-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.87
Rot. Bonds5

About 1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide

1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide (PubChem CID 109131195) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
PubChem CID109131195
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CC1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H14Cl2N2O2/c1-2-6-17-13(19)8-7-9(8)14(20)18-12-10(15)4-3-5-11(12)16/h2-5,8-9H,1,6-7H2,(H,17,19)(H,18,20)
InChIKeyMHOCOMCVNNVCHV-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2,6-dichlorophenyl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131584
1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133253
1-N-(4-chloro-2-methylphenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131132
1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133618
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131188
2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131098
methyl 2-[[2-(prop-2-enylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131158
2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 66252015
(1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide
CID 2054823
ethyl 4-[[2-(prop-2-enylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131183
N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012161
1-N-ethyl-1-N-phenyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131116

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide (CID 109131195) is 1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide is C=CCNC(=O)C1CC1C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The InChIKey is MHOCOMCVNNVCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-2-6-17-13(19)8-7-9(8)14(20)18-12-10(15)4-3-5-11(12)16/h2-5,8-9H,1,6-7H2,(H,17,19)(H,18,20).
What are the key properties of 1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide has a molecular weight of 313.18 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).