N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide

C11H13F2NO3 — CID 170829633

IUPACN-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cccc(F)c1F
InChIInChI=1S/C11H13F2NO3/c1-6(15)14-5-9(16)11(17)7-3-2-4-8(12)10(7)13/h2-4,9,11,16-17H,5H2,1H3,(H,14,15)
InChIKeyJDSHISDXYSUZTE-UHFFFAOYSA-N
MW245.22 g/mol
LogP0.50
Rot. Bonds4

About N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170829633) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170829633
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC NameN-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cccc(F)c1F
InChIInChI=1S/C11H13F2NO3/c1-6(15)14-5-9(16)11(17)7-3-2-4-8(12)10(7)13/h2-4,9,11,16-17H,5H2,1H3,(H,14,15)
InChIKeyJDSHISDXYSUZTE-UHFFFAOYSA-N
XLogP0.50
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetamido-1,2-dihydroxypropyl)-2-fluorobenzoic acid
CID 170830326
methyl 3-(3-acetamido-1,2-dihydroxypropyl)-2-fluorobenzoate
CID 170830610
N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
CID 170829588
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
N-[3-(4-amino-2-fluoro-3-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830083
4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171877250
2-[2-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170830367
N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide
CID 170830402
N-[3-(6-amino-2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830131
N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide
CID 170830007
N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829540
N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170831311

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide (CID 170829633) is N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cccc(F)c1F.
What is the InChIKey of N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is JDSHISDXYSUZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-6(15)14-5-9(16)11(17)7-3-2-4-8(12)10(7)13/h2-4,9,11,16-17H,5H2,1H3,(H,14,15).
What are the key properties of N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 245.22 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170829633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).