1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide

C16H14Cl2N2O3 — CID 108974716

IUPAC1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1ccco1)C1(C(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H14Cl2N2O3/c17-11-4-1-5-12(13(11)18)20-15(22)16(6-7-16)14(21)19-9-10-3-2-8-23-10/h1-5,8H,6-7,9H2,(H,19,21)(H,20,22)
InChIKeyNNKKHPGWVMFJBM-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.62
Rot. Bonds5

About 1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide

1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108974716) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108974716
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1ccco1)C1(C(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H14Cl2N2O3/c17-11-4-1-5-12(13(11)18)20-15(22)16(6-7-16)14(21)19-9-10-3-2-8-23-10/h1-5,8H,6-7,9H2,(H,19,21)(H,20,22)
InChIKeyNNKKHPGWVMFJBM-UHFFFAOYSA-N
XLogP3.62
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(3-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974651
1-N'-(2,6-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974715
1-N'-(2,3-dichlorophenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977068
1-N'-[2,6-di(propan-2-yl)phenyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974702
1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972836
(3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide
CID 7318862
1-N'-(3-bromophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974696
1-N-(furan-2-ylmethyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974641
N-(2,3-dichlorophenyl)-3-(furan-2-yl)propanamide
CID 51158824
1-N-(furan-2-ylmethyl)-1-N'-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974666
1-N-(furan-2-ylmethyl)-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974663
1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971543

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide (CID 108974716) is 1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide is O=C(NCc1ccco1)C1(C(=O)Nc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is NNKKHPGWVMFJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-11-4-1-5-12(13(11)18)20-15(22)16(6-7-16)14(21)19-9-10-3-2-8-23-10/h1-5,8H,6-7,9H2,(H,19,21)(H,20,22).
What are the key properties of 1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 353.21 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,3-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108974716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).