N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide

C17H16Cl2N2O2 — CID 70027888

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H16Cl2N2O2/c18-9-1-3-11(12(19)7-9)15-5-6-16(23-15)17(22)21-14-8-10-2-4-13(14)20-10/h1,3,5-7,10,13-14,20H,2,4,8H2,(H,21,22)/t10-,13+,14-/m1/s1
InChIKeyVZFUYIQDLSSWLH-DDTOSNHZSA-N
MW351.23 g/mol
LogP3.88
Rot. Bonds3

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 70027888) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
PubChem CID70027888
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H16Cl2N2O2/c18-9-1-3-11(12(19)7-9)15-5-6-16(23-15)17(22)21-14-8-10-2-4-13(14)20-10/h1,3,5-7,10,13-14,20H,2,4,8H2,(H,21,22)/t10-,13+,14-/m1/s1
InChIKeyVZFUYIQDLSSWLH-DDTOSNHZSA-N
XLogP3.88
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide (CID 70027888) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is VZFUYIQDLSSWLH-DDTOSNHZSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-9-1-3-11(12(19)7-9)15-5-6-16(23-15)17(22)21-14-8-10-2-4-13(14)20-10/h1,3,5-7,10,13-14,20H,2,4,8H2,(H,21,22)/t10-,13+,14-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 351.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 70027888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).