1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide

C17H15N3O3 — CID 109134958

IUPAC1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)C1CC1C(=O)NCc1ccco1
InChIInChI=1S/C17H15N3O3/c18-9-11-4-1-2-6-15(11)20-17(22)14-8-13(14)16(21)19-10-12-5-3-7-23-12/h1-7,13-14H,8,10H2,(H,19,21)(H,20,22)
InChIKeyDOJMDCXTNNOBIU-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.04
Rot. Bonds5

About 1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide

1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109134958) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109134958
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)C1CC1C(=O)NCc1ccco1
InChIInChI=1S/C17H15N3O3/c18-9-11-4-1-2-6-15(11)20-17(22)14-8-13(14)16(21)19-10-12-5-3-7-23-12/h1-7,13-14H,8,10H2,(H,19,21)(H,20,22)
InChIKeyDOJMDCXTNNOBIU-UHFFFAOYSA-N
XLogP2.04
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
CID 3093789
2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141896
2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143302
2-N-(furan-2-ylmethyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134861
1-N-(2-cyanophenyl)-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144163
1-N-(2-cyanophenyl)-2-N-[4-(diethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143947
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131808
1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109134849
2-N-[2-(dimethylamino)ethyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133639
1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135868
N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 37465986
N-(2-cyanophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231622

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109134958) is 1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide is N#Cc1ccccc1NC(=O)C1CC1C(=O)NCc1ccco1.
What is the InChIKey of 1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is DOJMDCXTNNOBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c18-9-11-4-1-2-6-15(11)20-17(22)14-8-13(14)16(21)19-10-12-5-3-7-23-12/h1-7,13-14H,8,10H2,(H,19,21)(H,20,22).
What are the key properties of 1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109134958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).