N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride

C17H20ClFN2O2 — CID 119572789

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
SMILESCC(CN)(NC(=O)c1ccc(-c2ccccc2F)o1)C1CC1.Cl
InChIInChI=1S/C17H19FN2O2.ClH/c1-17(10-19,11-6-7-11)20-16(21)15-9-8-14(22-15)12-4-2-3-5-13(12)18;/h2-5,8-9,11H,6-7,10,19H2,1H3,(H,20,21);1H
InChIKeyIJBFTDDEHNVQEQ-UHFFFAOYSA-N
MW338.81 g/mol
LogP3.36
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride (PubChem CID 119572789) has the molecular formula C17H20ClFN2O2 and a molecular weight of 338.81 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
PubChem CID119572789
Molecular FormulaC17H20ClFN2O2
Molecular Weight338.81 g/mol
Exact Mass338.12
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
SMILESCC(CN)(NC(=O)c1ccc(-c2ccccc2F)o1)C1CC1.Cl
InChIInChI=1S/C17H19FN2O2.ClH/c1-17(10-19,11-6-7-11)20-16(21)15-9-8-14(22-15)12-4-2-3-5-13(12)18;/h2-5,8-9,11H,6-7,10,19H2,1H3,(H,20,21);1H
InChIKeyIJBFTDDEHNVQEQ-UHFFFAOYSA-N
XLogP3.36
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride (CID 119572789) is N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride is CC(CN)(NC(=O)c1ccc(-c2ccccc2F)o1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride?
The InChIKey is IJBFTDDEHNVQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2.ClH/c1-17(10-19,11-6-7-11)20-16(21)15-9-8-14(22-15)12-4-2-3-5-13(12)18;/h2-5,8-9,11H,6-7,10,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride has a molecular weight of 338.81 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119572789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).