4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide

C20H22FNO3 — CID 110001666

IUPAC4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C20H22FNO3/c21-17-8-4-7-16(13-17)20(9-11-25-12-10-20)19(24)22-18(14-23)15-5-2-1-3-6-15/h1-8,13,18,23H,9-12,14H2,(H,22,24)/t18-/m1/s1
InChIKeyWWXMGCULURKVLU-GOSISDBHSA-N
MW343.40 g/mol
LogP2.72
Rot. Bonds5

About 4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide

4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide (PubChem CID 110001666) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
PubChem CID110001666
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C20H22FNO3/c21-17-8-4-7-16(13-17)20(9-11-25-12-10-20)19(24)22-18(14-23)15-5-2-1-3-6-15/h1-8,13,18,23H,9-12,14H2,(H,22,24)/t18-/m1/s1
InChIKeyWWXMGCULURKVLU-GOSISDBHSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-fluorophenyl)oxane-4-carboxamide;hydrochloride
CID 120597788
4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide
CID 92612290
4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
CID 56807132
4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103951352
4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide
CID 94669644
N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46979917
4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103945288
N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide
CID 127266166
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46977992
4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 92614078
4-(3-fluorophenyl)-N'-(2-nitrophenyl)oxane-4-carbohydrazide
CID 71886339

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide (CID 110001666) is 4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide is O=C(N[C@H](CO)c1ccccc1)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide?
The InChIKey is WWXMGCULURKVLU-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22FNO3/c21-17-8-4-7-16(13-17)20(9-11-25-12-10-20)19(24)22-18(14-23)15-5-2-1-3-6-15/h1-8,13,18,23H,9-12,14H2,(H,22,24)/t18-/m1/s1.
What are the key properties of 4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide?
4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide is sourced from PubChem (CID 110001666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).