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

C12H14FNO4 — CID 170829944

IUPACN-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(F)ccc1C=O
InChIInChI=1S/C12H14FNO4/c1-7(16)14-5-11(17)12(18)10-4-9(13)3-2-8(10)6-15/h2-4,6,11-12,17-18H,5H2,1H3,(H,14,16)
InChIKeyDRABSHDEGKBHGZ-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.17
Rot. Bonds5

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

N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170829944) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170829944
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC NameN-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(F)ccc1C=O
InChIInChI=1S/C12H14FNO4/c1-7(16)14-5-11(17)12(18)10-4-9(13)3-2-8(10)6-15/h2-4,6,11-12,17-18H,5H2,1H3,(H,14,16)
InChIKeyDRABSHDEGKBHGZ-UHFFFAOYSA-N
XLogP0.17
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-amino-1,2-dihydroxypropyl)-4-fluorobenzaldehyde
CID 170827927
N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide
CID 170829493
2-(4-bromo-1,2-dihydroxybutyl)-4-fluorobenzaldehyde
CID 171891895
N-[3-(6-formyl-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]acetamide
CID 170830804
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170830162
N-[3-(3,5-difluoro-4-formylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830411
N-[4-(2,5-difluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882620
N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830406
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633
N-[4-(2-acetyl-5-fluorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171883377
2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde
CID 117279374

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide (CID 170829944) is N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cc(F)ccc1C=O.
What is the InChIKey of N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is DRABSHDEGKBHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-7(16)14-5-11(17)12(18)10-4-9(13)3-2-8(10)6-15/h2-4,6,11-12,17-18H,5H2,1H3,(H,14,16).
What are the key properties of N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 255.24 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170829944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).