[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium

C19H18FN2O2+ — CID 7986750

IUPAC[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
SMILESO=C(Nc1ccc(F)cc1)[C@@H]([NH2+]Cc1ccco1)c1ccccc1
InChIInChI=1S/C19H17FN2O2/c20-15-8-10-16(11-9-15)22-19(23)18(14-5-2-1-3-6-14)21-13-17-7-4-12-24-17/h1-12,18,21H,13H2,(H,22,23)/p+1/t18-/m0/s1
InChIKeyUGDPFDLLUPYEHU-SFHVURJKSA-O
MW325.36 g/mol
LogP2.86
Rot. Bonds6

About [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium

[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium (PubChem CID 7986750) has the molecular formula C19H18FN2O2+ and a molecular weight of 325.36 g/mol. Its IUPAC name is [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
PubChem CID7986750
Molecular FormulaC19H18FN2O2+
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
SMILESO=C(Nc1ccc(F)cc1)[C@@H]([NH2+]Cc1ccco1)c1ccccc1
InChIInChI=1S/C19H17FN2O2/c20-15-8-10-16(11-9-15)22-19(23)18(14-5-2-1-3-6-14)21-13-17-7-4-12-24-17/h1-12,18,21H,13H2,(H,22,23)/p+1/t18-/m0/s1
InChIKeyUGDPFDLLUPYEHU-SFHVURJKSA-O
XLogP2.86
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755427
[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
CID 7874399
(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755424
furan-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
CID 9325925
2-cyano-N-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 82120901
furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
CID 9466817
(2-anilino-2-oxoethyl)-(furan-2-ylmethyl)azanium
CID 7131564
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2,2-diphenylacetamide
CID 35335039
4-(4-chloroanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate
CID 4918988
(3R)-4-(4-chloroanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate
CID 7320147
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
[(1R)-1-(3-chlorophenyl)ethyl]-[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium
CID 9307429

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium?
The IUPAC name of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium (CID 7986750) is [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium.
What is the SMILES notation for [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium?
The canonical SMILES for [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium is O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]Cc1ccco1)c1ccccc1.
What is the InChIKey of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium?
The InChIKey is UGDPFDLLUPYEHU-SFHVURJKSA-O. The full InChI is InChI=1S/C19H17FN2O2/c20-15-8-10-16(11-9-15)22-19(23)18(14-5-2-1-3-6-14)21-13-17-7-4-12-24-17/h1-12,18,21H,13H2,(H,22,23)/p+1/t18-/m0/s1.
What are the key properties of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium?
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium has a molecular weight of 325.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 7986750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).