N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide

C12H16FNO4 — CID 170829935

IUPACN-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCOc1ccc(F)c(C(O)C(O)CNC(C)=O)c1
InChIInChI=1S/C12H16FNO4/c1-7(15)14-6-11(16)12(17)9-5-8(18-2)3-4-10(9)13/h3-5,11-12,16-17H,6H2,1-2H3,(H,14,15)
InChIKeyHCQGSIAXTKGYMS-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.36
Rot. Bonds5

About N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170829935) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170829935
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC NameN-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCOc1ccc(F)c(C(O)C(O)CNC(C)=O)c1
InChIInChI=1S/C12H16FNO4/c1-7(15)14-6-11(16)12(17)9-5-8(18-2)3-4-10(9)13/h3-5,11-12,16-17H,6H2,1-2H3,(H,14,15)
InChIKeyHCQGSIAXTKGYMS-UHFFFAOYSA-N
XLogP0.36
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-amino-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830174
N-[3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831287
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830081
N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830542
N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830406
4-(3-acetamido-1,2-dihydroxypropyl)-2,5-difluorobenzoic acid
CID 170830635
N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830125
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633
N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830014
N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882620

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide (CID 170829935) is N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide is COc1ccc(F)c(C(O)C(O)CNC(C)=O)c1.
What is the InChIKey of N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is HCQGSIAXTKGYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-7(15)14-6-11(16)12(17)9-5-8(18-2)3-4-10(9)13/h3-5,11-12,16-17H,6H2,1-2H3,(H,14,15).
What are the key properties of N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 257.26 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170829935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).