N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride

C18H24ClFN2O3 — CID 119652390

IUPACN-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(COc2ccc(F)cc2)o1.Cl
InChIInChI=1S/C18H23FN2O3.ClH/c1-18(2,11-20)12-21(3)17(22)16-9-8-15(24-16)10-23-14-6-4-13(19)5-7-14;/h4-9H,10-12,20H2,1-3H3;1H
InChIKeyZTUIRFJJWOUNDL-UHFFFAOYSA-N
MW370.85 g/mol
LogP3.48
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119652390) has the molecular formula C18H24ClFN2O3 and a molecular weight of 370.85 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
PubChem CID119652390
Molecular FormulaC18H24ClFN2O3
Molecular Weight370.85 g/mol
Exact Mass370.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(COc2ccc(F)cc2)o1.Cl
InChIInChI=1S/C18H23FN2O3.ClH/c1-18(2,11-20)12-21(3)17(22)16-9-8-15(24-16)10-23-14-6-4-13(19)5-7-14;/h4-9H,10-12,20H2,1-3H3;1H
InChIKeyZTUIRFJJWOUNDL-UHFFFAOYSA-N
XLogP3.48
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.85
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
CID 111579452
N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 51147848
5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695820
N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 31215377
N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 55903829
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46789677
5-[(4-fluorophenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 119441155
5-[(4-fluorophenoxy)methyl]-N-methyl-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119549878
3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119190923
N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
CID 119652327
[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanamine
CID 62454470
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19451842

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride (CID 119652390) is N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)c1ccc(COc2ccc(F)cc2)o1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is ZTUIRFJJWOUNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3.ClH/c1-18(2,11-20)12-21(3)17(22)16-9-8-15(24-16)10-23-14-6-4-13(19)5-7-14;/h4-9H,10-12,20H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 370.85 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119652390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).