N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride

C18H24ClFN2O3 — CID 119585414

IUPACN-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccc(COc2ccc(F)cc2)o1.Cl
InChIInChI=1S/C18H23FN2O3.ClH/c1-12(2)9-14(10-20)21-18(22)17-8-7-16(24-17)11-23-15-5-3-13(19)4-6-15;/h3-8,12,14H,9-11,20H2,1-2H3,(H,21,22);1H
InChIKeyPDCZPGYKPQWEGI-UHFFFAOYSA-N
MW370.85 g/mol
LogP3.52
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride (PubChem CID 119585414) has the molecular formula C18H24ClFN2O3 and a molecular weight of 370.85 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride
PubChem CID119585414
Molecular FormulaC18H24ClFN2O3
Molecular Weight370.85 g/mol
Exact Mass370.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccc(COc2ccc(F)cc2)o1.Cl
InChIInChI=1S/C18H23FN2O3.ClH/c1-12(2)9-14(10-20)21-18(22)17-8-7-16(24-17)11-23-15-5-3-13(19)4-6-15;/h3-8,12,14H,9-11,20H2,1-2H3,(H,21,22);1H
InChIKeyPDCZPGYKPQWEGI-UHFFFAOYSA-N
XLogP3.52
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.85
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119585925
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413099
N-(1-amino-4-methylpentan-2-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 119585509
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 98421287
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19580094
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55344956
N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 43048903
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride (CID 119585414) is N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1ccc(COc2ccc(F)cc2)o1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride?
The InChIKey is PDCZPGYKPQWEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3.ClH/c1-12(2)9-14(10-20)21-18(22)17-8-7-16(24-17)11-23-15-5-3-13(19)4-6-15;/h3-8,12,14H,9-11,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride has a molecular weight of 370.85 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119585414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).