N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride

C17H22ClFN2O2 — CID 119640271

IUPACN-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(-c2ccccc2F)o1.Cl
InChIInChI=1S/C17H21FN2O2.ClH/c1-3-17(19,4-2)11-20-16(21)15-10-9-14(22-15)12-7-5-6-8-13(12)18;/h5-10H,3-4,11,19H2,1-2H3,(H,20,21);1H
InChIKeyLGIQXNKGPYKNOW-UHFFFAOYSA-N
MW340.83 g/mol
LogP3.75
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride (PubChem CID 119640271) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
PubChem CID119640271
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC NameN-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(-c2ccccc2F)o1.Cl
InChIInChI=1S/C17H21FN2O2.ClH/c1-3-17(19,4-2)11-20-16(21)15-10-9-14(22-15)12-7-5-6-8-13(12)18;/h5-10H,3-4,11,19H2,1-2H3,(H,20,21);1H
InChIKeyLGIQXNKGPYKNOW-UHFFFAOYSA-N
XLogP3.75
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-5-(4-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119643079
N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119996463
5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 8756941
N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 78799931
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119572789
5-(2-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]furan-2-carboxamide
CID 111333061
N-(4-acetamidophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 1251716
5-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 51180762
N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 119665414
N-(2-ethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 3462704

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride (CID 119640271) is N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1ccc(-c2ccccc2F)o1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride?
The InChIKey is LGIQXNKGPYKNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2.ClH/c1-3-17(19,4-2)11-20-16(21)15-10-9-14(22-15)12-7-5-6-8-13(12)18;/h5-10H,3-4,11,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride has a molecular weight of 340.83 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119640271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).