3-(4-amino-2-chloroanilino)-2-hydroxypropanamide

C9H12ClN3O2 — CID 106166462

IUPAC3-(4-amino-2-chloroanilino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1ccc(N)cc1Cl
InChIInChI=1S/C9H12ClN3O2/c10-6-3-5(11)1-2-7(6)13-4-8(14)9(12)15/h1-3,8,13-14H,4,11H2,(H2,12,15)
InChIKeyPQRIPVZSIVXWBO-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.18
Rot. Bonds4

About 3-(4-amino-2-chloroanilino)-2-hydroxypropanamide

3-(4-amino-2-chloroanilino)-2-hydroxypropanamide (PubChem CID 106166462) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 3-(4-amino-2-chloroanilino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(4-amino-2-chloroanilino)-2-hydroxypropanamide
PubChem CID106166462
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name3-(4-amino-2-chloroanilino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1ccc(N)cc1Cl
InChIInChI=1S/C9H12ClN3O2/c10-6-3-5(11)1-2-7(6)13-4-8(14)9(12)15/h1-3,8,13-14H,4,11H2,(H2,12,15)
InChIKeyPQRIPVZSIVXWBO-UHFFFAOYSA-N
XLogP0.18
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.18
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-(4-amino-2-chloroanilino)propane-1,2-diol
CID 66176348
3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
CID 114152829
3-(2-amino-4-chloro-5-fluoroanilino)-2-hydroxypropanamide
CID 106166630
4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166574
3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide
CID 106166600
2-(4-amino-2-chloroanilino)ethanol;sulfuric acid
CID 70564055
3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide
CID 106170864
3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide
CID 106170818
2-[2-(4-amino-2-chloroanilino)ethoxy]acetamide
CID 106234293
3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide
CID 114152808
N'-(4-amino-2-chlorophenyl)-N-(2-hydroxypropyl)oxamide
CID 108516000
3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol
CID 66169047

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-chloroanilino)-2-hydroxypropanamide?
The IUPAC name of 3-(4-amino-2-chloroanilino)-2-hydroxypropanamide (CID 106166462) is 3-(4-amino-2-chloroanilino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(4-amino-2-chloroanilino)-2-hydroxypropanamide?
The canonical SMILES for 3-(4-amino-2-chloroanilino)-2-hydroxypropanamide is NC(=O)C(O)CNc1ccc(N)cc1Cl.
What is the InChIKey of 3-(4-amino-2-chloroanilino)-2-hydroxypropanamide?
The InChIKey is PQRIPVZSIVXWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c10-6-3-5(11)1-2-7(6)13-4-8(14)9(12)15/h1-3,8,13-14H,4,11H2,(H2,12,15).
What are the key properties of 3-(4-amino-2-chloroanilino)-2-hydroxypropanamide?
3-(4-amino-2-chloroanilino)-2-hydroxypropanamide has a molecular weight of 229.67 g/mol, XLogP of 0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-chloroanilino)-2-hydroxypropanamide is sourced from PubChem (CID 106166462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).