N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide

C12H17FN2O4 — CID 170830542

IUPACN-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCOc1cc(C(O)C(O)CNC(C)=O)c(F)cc1N
InChIInChI=1S/C12H17FN2O4/c1-6(16)15-5-10(17)12(18)7-3-11(19-2)9(14)4-8(7)13/h3-4,10,12,17-18H,5,14H2,1-2H3,(H,15,16)
InChIKeyONQHAAWFVQOBKO-UHFFFAOYSA-N
MW272.28 g/mol
LogP-0.05
Rot. Bonds5

About N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170830542) has the molecular formula C12H17FN2O4 and a molecular weight of 272.28 g/mol. Its IUPAC name is N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170830542
Molecular FormulaC12H17FN2O4
Molecular Weight272.28 g/mol
Exact Mass272.12
IUPAC NameN-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCOc1cc(C(O)C(O)CNC(C)=O)c(F)cc1N
InChIInChI=1S/C12H17FN2O4/c1-6(16)15-5-10(17)12(18)7-3-11(19-2)9(14)4-8(7)13/h3-4,10,12,17-18H,5,14H2,1-2H3,(H,15,16)
InChIKeyONQHAAWFVQOBKO-UHFFFAOYSA-N
XLogP-0.05
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-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

N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830125
5-(3-acetamido-1,2-dihydroxypropyl)-2-amino-4-fluorobenzoic acid
CID 170830723
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
4-amino-1-(4-amino-2-fluoro-5-methoxyphenyl)butane-1,2-diol
CID 171881741
N-[3-(4-amino-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830189
N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829935
N-[3-(2-bromo-4,5-dimethoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831307
3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170824441
N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830406
N-[3-(2-amino-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830174
4-(3-acetamido-1,2-dihydroxypropyl)-2,5-difluorobenzoic acid
CID 170830635
N-[2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propyl]acetamide
CID 170830397

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide (CID 170830542) is N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide is COc1cc(C(O)C(O)CNC(C)=O)c(F)cc1N.
What is the InChIKey of N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is ONQHAAWFVQOBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4/c1-6(16)15-5-10(17)12(18)7-3-11(19-2)9(14)4-8(7)13/h3-4,10,12,17-18H,5,14H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 272.28 g/mol, XLogP of -0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).