N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide

C11H12F3NO3 — CID 170829875

IUPACN-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H12F3NO3/c1-5(16)15-4-10(17)11(18)6-2-8(13)9(14)3-7(6)12/h2-3,10-11,17-18H,4H2,1H3,(H,15,16)
InChIKeyLCWJVDDYABNPCM-UHFFFAOYSA-N
MW263.21 g/mol
LogP0.63
Rot. Bonds4

About N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide

N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide (PubChem CID 170829875) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
PubChem CID170829875
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC NameN-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H12F3NO3/c1-5(16)15-4-10(17)11(18)6-2-8(13)9(14)3-7(6)12/h2-3,10-11,17-18H,4H2,1H3,(H,15,16)
InChIKeyLCWJVDDYABNPCM-UHFFFAOYSA-N
XLogP0.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830125
4-(3-acetamido-1,2-dihydroxypropyl)-2,5-difluorobenzoic acid
CID 170830635
5-(3-acetamido-1,2-dihydroxypropyl)-2-amino-4-fluorobenzoic acid
CID 170830723
4-(3-acetamido-1,2-dihydroxypropyl)-2-chloro-5-fluorobenzoic acid
CID 170830634
N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830542
N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831474
N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829935
N-[3-(2-fluoro-4-methyl-5-nitrophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830726
N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830081
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-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830406

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide (CID 170829875) is N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide is CC(=O)NCC(O)C(O)c1cc(F)c(F)cc1F.
What is the InChIKey of N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide?
The InChIKey is LCWJVDDYABNPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-5(16)15-4-10(17)11(18)6-2-8(13)9(14)3-7(6)12/h2-3,10-11,17-18H,4H2,1H3,(H,15,16).
What are the key properties of N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide?
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide has a molecular weight of 263.21 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide is sourced from PubChem (CID 170829875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).