3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide

C12H18FN3O3 — CID 106166701

IUPAC3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide
SMILESCCCOc1cc(NCC(O)C(N)=O)c(N)cc1F
InChIInChI=1S/C12H18FN3O3/c1-2-3-19-11-5-9(8(14)4-7(11)13)16-6-10(17)12(15)18/h4-5,10,16-17H,2-3,6,14H2,1H3,(H2,15,18)
InChIKeyQJHBLTSTVJUXRZ-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.45
Rot. Bonds7

About 3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide

3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide (PubChem CID 106166701) has the molecular formula C12H18FN3O3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide
PubChem CID106166701
Molecular FormulaC12H18FN3O3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide
SMILESCCCOc1cc(NCC(O)C(N)=O)c(N)cc1F
InChIInChI=1S/C12H18FN3O3/c1-2-3-19-11-5-9(8(14)4-7(11)13)16-6-10(17)12(15)18/h4-5,10,16-17H,2-3,6,14H2,1H3,(H2,15,18)
InChIKeyQJHBLTSTVJUXRZ-UHFFFAOYSA-N
XLogP0.45
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4-fluoro-5-propoxyanilino)-N-methylpropanamide
CID 63591924
3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide
CID 106166702
3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide
CID 106166630
3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide
CID 63594462
2-(2-amino-4-fluoro-5-propoxyanilino)-2-ethylpropane-1,3-diol
CID 107864615
2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide
CID 103106731
4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine
CID 63592209
4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine
CID 63592455
4-fluoro-5-propoxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 63591947
1-N-[(1,1-dioxothiolan-3-yl)methyl]-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63593147
1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592624
4-fluoro-1-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-5-propoxybenzene-1,2-diamine
CID 80684848

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide?
The IUPAC name of 3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide (CID 106166701) is 3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide?
The canonical SMILES for 3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide is CCCOc1cc(NCC(O)C(N)=O)c(N)cc1F.
What is the InChIKey of 3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide?
The InChIKey is QJHBLTSTVJUXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3/c1-2-3-19-11-5-9(8(14)4-7(11)13)16-6-10(17)12(15)18/h4-5,10,16-17H,2-3,6,14H2,1H3,(H2,15,18).
What are the key properties of 3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide?
3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide has a molecular weight of 271.29 g/mol, XLogP of 0.45, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide is sourced from PubChem (CID 106166701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).