5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide

C21H18FNO4 — CID 42227199

IUPAC5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide
SMILESC[C@H](NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)c1ccccc1
InChIInChI=1S/C21H18FNO4/c1-14(16-5-3-2-4-6-16)23-21(25)19-11-18(24)20(13-27-19)26-12-15-7-9-17(22)10-8-15/h2-11,13-14H,12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyMQQFCVPEIKFDOV-AWEZNQCLSA-N
MW367.38 g/mol
LogP3.85
Rot. Bonds6

About 5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide

5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide (PubChem CID 42227199) has the molecular formula C21H18FNO4 and a molecular weight of 367.38 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide
PubChem CID42227199
Molecular FormulaC21H18FNO4
Molecular Weight367.38 g/mol
Exact Mass367.12
IUPAC Name5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide
SMILESC[C@H](NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)c1ccccc1
InChIInChI=1S/C21H18FNO4/c1-14(16-5-3-2-4-6-16)23-21(25)19-11-18(24)20(13-27-19)26-12-15-7-9-17(22)10-8-15/h2-11,13-14H,12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyMQQFCVPEIKFDOV-AWEZNQCLSA-N
XLogP3.85
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42227224
methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate
CID 42227239
N-(2-fluorophenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45494955
4-methyl-N-(1-phenylethyl)furan-2-carboxamide
CID 110850967
3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid
CID 174458853
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42227255
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide
CID 42227009
methyl (2R)-2-[[5-[(3,4-dichlorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]propanoate
CID 124661591
N-(2-carbamoylphenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42227017
5-[(4-fluorophenyl)methoxy]-N-(2-methylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 42442742
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide (CID 42227199) is 5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide is C[C@H](NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)c1ccccc1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide?
The InChIKey is MQQFCVPEIKFDOV-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H18FNO4/c1-14(16-5-3-2-4-6-16)23-21(25)19-11-18(24)20(13-27-19)26-12-15-7-9-17(22)10-8-15/h2-11,13-14H,12H2,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide?
5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide is sourced from PubChem (CID 42227199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).