[(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium

C22H24FN2O3+ — CID 9119911

IUPAC[(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
SMILESCOc1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3F)o2)[NH+](C)C)cc1
InChIInChI=1S/C22H23FN2O3/c1-25(2)19(15-8-10-16(27-3)11-9-15)14-24-22(26)21-13-12-20(28-21)17-6-4-5-7-18(17)23/h4-13,19H,14H2,1-3H3,(H,24,26)/p+1/t19-/m0/s1
InChIKeyXPIVWAMTXIQCBV-IBGZPJMESA-O
MW383.44 g/mol
LogP2.71
Rot. Bonds7

About [(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium

[(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium (PubChem CID 9119911) has the molecular formula C22H24FN2O3+ and a molecular weight of 383.44 g/mol. Its IUPAC name is [(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
PubChem CID9119911
Molecular FormulaC22H24FN2O3+
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name[(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
SMILESCOc1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3F)o2)[NH+](C)C)cc1
InChIInChI=1S/C22H23FN2O3/c1-25(2)19(15-8-10-16(27-3)11-9-15)14-24-22(26)21-13-12-20(28-21)17-6-4-5-7-18(17)23/h4-13,19H,14H2,1-3H3,(H,24,26)/p+1/t19-/m0/s1
InChIKeyXPIVWAMTXIQCBV-IBGZPJMESA-O
XLogP2.71
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium with MolForge

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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
[(1R)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439282
[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439285
N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119996463
5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 39959418
[(1S)-2-[(2,4-dichlorobenzoyl)amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 8008987
5-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 51427238
N-[4-(difluoromethoxy)phenyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 9427796
5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide
CID 47083758
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724191
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 8756941

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium (CID 9119911) is [(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium is COc1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3F)o2)[NH+](C)C)cc1.
What is the InChIKey of [(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
The InChIKey is XPIVWAMTXIQCBV-IBGZPJMESA-O. The full InChI is InChI=1S/C22H23FN2O3/c1-25(2)19(15-8-10-16(27-3)11-9-15)14-24-22(26)21-13-12-20(28-21)17-6-4-5-7-18(17)23/h4-13,19H,14H2,1-3H3,(H,24,26)/p+1/t19-/m0/s1.
What are the key properties of [(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium?
[(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium has a molecular weight of 383.44 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium is sourced from PubChem (CID 9119911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).