N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide

C15H16FNO3 — CID 124504826

IUPACN-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide
SMILESCO[C@H](CNC(=O)c1ccoc1C)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO3/c1-10-13(7-8-20-10)15(18)17-9-14(19-2)11-3-5-12(16)6-4-11/h3-8,14H,9H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyXGILPGVTJASIFC-CQSZACIVSA-N
MW277.30 g/mol
LogP2.84
Rot. Bonds5

About N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide

N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide (PubChem CID 124504826) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide
PubChem CID124504826
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide
SMILESCO[C@H](CNC(=O)c1ccoc1C)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO3/c1-10-13(7-8-20-10)15(18)17-9-14(19-2)11-3-5-12(16)6-4-11/h3-8,14H,9H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyXGILPGVTJASIFC-CQSZACIVSA-N
XLogP2.84
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
CID 110888799
N-(2,2-diphenylethyl)-2-methylfuran-3-carboxamide
CID 78808962
N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide
CID 113274151
N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide
CID 102560043
3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide
CID 120502200
4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide
CID 119343022
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride
CID 120991420
N-[(2R)-2-ethylhexyl]-2-methylfuran-3-carboxamide
CID 40537880
1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111509469
1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea
CID 51113394
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide
CID 119817621
4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride
CID 120563946

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide (CID 124504826) is N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide is CO[C@H](CNC(=O)c1ccoc1C)c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide?
The InChIKey is XGILPGVTJASIFC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-10-13(7-8-20-10)15(18)17-9-14(19-2)11-3-5-12(16)6-4-11/h3-8,14H,9H2,1-2H3,(H,17,18)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide?
N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 124504826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).