N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide

C12H13FN2O3 — CID 170830081

IUPACN-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(C#N)ccc1F
InChIInChI=1S/C12H13FN2O3/c1-7(16)15-6-11(17)12(18)9-4-8(5-14)2-3-10(9)13/h2-4,11-12,17-18H,6H2,1H3,(H,15,16)
InChIKeyJLEZFDACXFJDFW-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.23
Rot. Bonds4

About N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170830081) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170830081
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC NameN-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(C#N)ccc1F
InChIInChI=1S/C12H13FN2O3/c1-7(16)15-6-11(17)12(18)9-4-8(5-14)2-3-10(9)13/h2-4,11-12,17-18H,6H2,1H3,(H,15,16)
InChIKeyJLEZFDACXFJDFW-UHFFFAOYSA-N
XLogP0.23
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-chloro-4-cyanophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830078
N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829935
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
3-(1,2-dihydroxy-3-sulfanylpropyl)-4-fluorobenzonitrile
CID 170819899
N-[4-(5-cyano-2-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883104
N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830014
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
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633
N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830542
N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882620
3-(4-azido-1,2-dihydroxybutyl)-4-fluorobenzonitrile
CID 171879488

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide (CID 170830081) is N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cc(C#N)ccc1F.
What is the InChIKey of N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is JLEZFDACXFJDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-7(16)15-6-11(17)12(18)9-4-8(5-14)2-3-10(9)13/h2-4,11-12,17-18H,6H2,1H3,(H,15,16).
What are the key properties of N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 252.24 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).