3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide

C9H10Cl2N2O3 — CID 171868242

IUPAC3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc(N)c(Cl)c1Cl
InChIInChI=1S/C9H10Cl2N2O3/c10-5-3(1-2-4(12)6(5)11)7(14)8(15)9(13)16/h1-2,7-8,14-15H,12H2,(H2,13,16)
InChIKeySXIOTAZTHDBQOR-UHFFFAOYSA-N
MW265.10 g/mol
LogP0.46
Rot. Bonds3

About 3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide

3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide (PubChem CID 171868242) has the molecular formula C9H10Cl2N2O3 and a molecular weight of 265.10 g/mol. Its IUPAC name is 3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide
PubChem CID171868242
Molecular FormulaC9H10Cl2N2O3
Molecular Weight265.10 g/mol
Exact Mass264.01
IUPAC Name3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc(N)c(Cl)c1Cl
InChIInChI=1S/C9H10Cl2N2O3/c10-5-3(1-2-4(12)6(5)11)7(14)8(15)9(13)16/h1-2,7-8,14-15H,12H2,(H2,13,16)
InChIKeySXIOTAZTHDBQOR-UHFFFAOYSA-N
XLogP0.46
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 50.46
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-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867868
3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867764
3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867980
3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-chlorobenzoic acid
CID 171868426
S-[4-(4-amino-2,3-dichlorophenyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875962
3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide
CID 171867560
3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171868281
3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide
CID 171868515
3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867878
3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid
CID 171868523
3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869258

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide (CID 171868242) is 3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1ccc(N)c(Cl)c1Cl.
What is the InChIKey of 3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide?
The InChIKey is SXIOTAZTHDBQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O3/c10-5-3(1-2-4(12)6(5)11)7(14)8(15)9(13)16/h1-2,7-8,14-15H,12H2,(H2,13,16).
What are the key properties of 3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide?
3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide has a molecular weight of 265.10 g/mol, XLogP of 0.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).