3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide

C16H16FNO4 — CID 171869350

IUPAC3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO4/c17-12-3-1-2-10(8-12)9-22-13-6-4-11(5-7-13)14(19)15(20)16(18)21/h1-8,14-15,19-20H,9H2,(H2,18,21)
InChIKeyWXQJVLANRALJSE-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.28
Rot. Bonds6

About 3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide

3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide (PubChem CID 171869350) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide
PubChem CID171869350
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC Name3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO4/c17-12-3-1-2-10(8-12)9-22-13-6-4-11(5-7-13)14(19)15(20)16(18)21/h1-8,14-15,19-20H,9H2,(H2,18,21)
InChIKeyWXQJVLANRALJSE-UHFFFAOYSA-N
XLogP1.28
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 22476623
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
CID 3038502
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-(furan-2-yl)acetamide
CID 46223823
3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
CID 69037597
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide
CID 10450512
ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
CID 110359980

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide?
The IUPAC name of 3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide (CID 171869350) is 3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide?
The canonical SMILES for 3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of 3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide?
The InChIKey is WXQJVLANRALJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c17-12-3-1-2-10(8-12)9-22-13-6-4-11(5-7-13)14(19)15(20)16(18)21/h1-8,14-15,19-20H,9H2,(H2,18,21).
What are the key properties of 3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide?
3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide has a molecular weight of 305.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).