N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide

C12H14FNO5 — CID 170830330

IUPACN-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(F)c(O)c(C=O)c1
InChIInChI=1S/C12H14FNO5/c1-6(16)14-4-10(17)12(19)7-2-8(5-15)11(18)9(13)3-7/h2-3,5,10,12,17-19H,4H2,1H3,(H,14,16)
InChIKeyCVDSIYLYQGOCMR-UHFFFAOYSA-N
MW271.24 g/mol
LogP-0.13
Rot. Bonds5

About N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170830330) has the molecular formula C12H14FNO5 and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170830330
Molecular FormulaC12H14FNO5
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC NameN-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(F)c(O)c(C=O)c1
InChIInChI=1S/C12H14FNO5/c1-6(16)14-4-10(17)12(19)7-2-8(5-15)11(18)9(13)3-7/h2-3,5,10,12,17-19H,4H2,1H3,(H,14,16)
InChIKeyCVDSIYLYQGOCMR-UHFFFAOYSA-N
XLogP-0.13
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide (CID 170830330) is N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cc(F)c(O)c(C=O)c1.
What is the InChIKey of N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is CVDSIYLYQGOCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO5/c1-6(16)14-4-10(17)12(19)7-2-8(5-15)11(18)9(13)3-7/h2-3,5,10,12,17-19H,4H2,1H3,(H,14,16).
What are the key properties of N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 271.24 g/mol, XLogP of -0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoro-5-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).