5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one

C18H16FNO3 — CID 164684151

IUPAC5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one
SMILESCC1([C@H](Nc2ccccc2O)c2ccc(F)cc2)C=CC(=O)O1
InChIInChI=1S/C18H16FNO3/c1-18(11-10-16(22)23-18)17(12-6-8-13(19)9-7-12)20-14-4-2-3-5-15(14)21/h2-11,17,20-21H,1H3/t17-,18?/m1/s1
InChIKeyLELHJGUWHCQDNL-QNSVNVJESA-N
MW313.33 g/mol
LogP3.56
Rot. Bonds4

About 5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one

5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one (PubChem CID 164684151) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one.

Molecular Properties

Compound Name5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one
PubChem CID164684151
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one
SMILESCC1([C@H](Nc2ccccc2O)c2ccc(F)cc2)C=CC(=O)O1
InChIInChI=1S/C18H16FNO3/c1-18(11-10-16(22)23-18)17(12-6-8-13(19)9-7-12)20-14-4-2-3-5-15(14)21/h2-11,17,20-21H,1H3/t17-,18?/m1/s1
InChIKeyLELHJGUWHCQDNL-QNSVNVJESA-N
XLogP3.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(S)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-2H-furan-5-one
CID 135064344
2-(4-fluoroanilino)phenol
CID 82537401
1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine
CID 11327045
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
2-[[1,2-bis(4-fluorophenyl)-2-(2-sulfanylanilino)ethyl]amino]benzenethiol
CID 20762520
(2R)-2-[(S)-(2-hydroxyanilino)-phenylmethyl]-2H-furan-5-one
CID 100993377
N-(4-fluoro-2-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796006
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745
bis(carbon dioxide);N-[[(4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]hepta-2,5-dien-1-yl]-(4-fluorophenyl)methyl]aniline
CID 159125921
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide
CID 99136888
N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline
CID 43225069
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one?
The IUPAC name of 5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one (CID 164684151) is 5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one.
What is the SMILES notation for 5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one?
The canonical SMILES for 5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one is CC1([C@H](Nc2ccccc2O)c2ccc(F)cc2)C=CC(=O)O1.
What is the InChIKey of 5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one?
The InChIKey is LELHJGUWHCQDNL-QNSVNVJESA-N. The full InChI is InChI=1S/C18H16FNO3/c1-18(11-10-16(22)23-18)17(12-6-8-13(19)9-7-12)20-14-4-2-3-5-15(14)21/h2-11,17,20-21H,1H3/t17-,18?/m1/s1.
What are the key properties of 5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one?
5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one has a molecular weight of 313.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-(4-fluorophenyl)-(2-hydroxyanilino)methyl]-5-methylfuran-2-one is sourced from PubChem (CID 164684151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).