N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride

C15H18ClFN2O2 — CID 119996463

IUPACN-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
SMILESCC(CN)CNC(=O)c1ccc(-c2ccccc2F)o1.Cl
InChIInChI=1S/C15H17FN2O2.ClH/c1-10(8-17)9-18-15(19)14-7-6-13(20-14)11-4-2-3-5-12(11)16;/h2-7,10H,8-9,17H2,1H3,(H,18,19);1H
InChIKeyZPPDPRPYVVPTIY-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.83
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride

N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride (PubChem CID 119996463) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
PubChem CID119996463
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC NameN-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
SMILESCC(CN)CNC(=O)c1ccc(-c2ccccc2F)o1.Cl
InChIInChI=1S/C15H17FN2O2.ClH/c1-10(8-17)9-18-15(19)14-7-6-13(20-14)11-4-2-3-5-12(11)16;/h2-7,10H,8-9,17H2,1H3,(H,18,19);1H
InChIKeyZPPDPRPYVVPTIY-UHFFFAOYSA-N
XLogP2.83
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
N-(3-amino-2-methylpropyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 119995910
N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119640271
N-(2-amino-1-cyclopropylethyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119613475
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 8756941
N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 119665414
[(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 9119911
5-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 51427238
N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 78799931
N-[1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 71864154
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119572789

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride (CID 119996463) is N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride is CC(CN)CNC(=O)c1ccc(-c2ccccc2F)o1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride?
The InChIKey is ZPPDPRPYVVPTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2.ClH/c1-10(8-17)9-18-15(19)14-7-6-13(20-14)11-4-2-3-5-12(11)16;/h2-7,10H,8-9,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride?
N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride has a molecular weight of 312.77 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119996463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).