3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide

C9H11ClFN3O2 — CID 106166630

IUPAC3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1cc(F)c(Cl)cc1N
InChIInChI=1S/C9H11ClFN3O2/c10-4-1-6(12)7(2-5(4)11)14-3-8(15)9(13)16/h1-2,8,14-15H,3,12H2,(H2,13,16)
InChIKeyTVWBFXVCUDJOBJ-UHFFFAOYSA-N
MW247.66 g/mol
LogP0.32
Rot. Bonds4

About 3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide

3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide (PubChem CID 106166630) has the molecular formula C9H11ClFN3O2 and a molecular weight of 247.66 g/mol. Its IUPAC name is 3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide
PubChem CID106166630
Molecular FormulaC9H11ClFN3O2
Molecular Weight247.66 g/mol
Exact Mass247.05
IUPAC Name3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1cc(F)c(Cl)cc1N
InChIInChI=1S/C9H11ClFN3O2/c10-4-1-6(12)7(2-5(4)11)14-3-8(15)9(13)16/h1-2,8,14-15H,3,12H2,(H2,13,16)
InChIKeyTVWBFXVCUDJOBJ-UHFFFAOYSA-N
XLogP0.32
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide
CID 106166702
3-(4-amino-2-chloroanilino)-2-hydroxypropanamide
CID 106166462
3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide
CID 106166701
4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol
CID 66077275
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide
CID 106165772
2-(2-amino-4-chloro-5-fluoroanilino)propane-1,3-diol
CID 66077669
ethyl 2-(2-amino-4-chloro-5-fluoroanilino)acetate
CID 66079161
tert-butyl N-[2-(2-amino-4-chloro-5-fluoroanilino)ethyl]carbamate
CID 114517992
4-(2-amino-4-chloro-5-fluoroanilino)-1-methoxybutan-2-ol
CID 114163073
3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide
CID 106166600
3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide
CID 106170864
[1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol
CID 115358093

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide?
The IUPAC name of 3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide (CID 106166630) is 3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide?
The canonical SMILES for 3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide is NC(=O)C(O)CNc1cc(F)c(Cl)cc1N.
What is the InChIKey of 3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide?
The InChIKey is TVWBFXVCUDJOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3O2/c10-4-1-6(12)7(2-5(4)11)14-3-8(15)9(13)16/h1-2,8,14-15H,3,12H2,(H2,13,16).
What are the key properties of 3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide?
3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide has a molecular weight of 247.66 g/mol, XLogP of 0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide is sourced from PubChem (CID 106166630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).