N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide

C12H15Cl2N3O3 — CID 106668030

IUPACN-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
SMILESNc1cc(Cl)c(NC(=O)CN2CC(O)C(O)C2)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O3/c13-7-1-6(15)2-8(14)12(7)16-11(20)5-17-3-9(18)10(19)4-17/h1-2,9-10,18-19H,3-5,15H2,(H,16,20)
InChIKeyIDSRSMWZXRCJNY-UHFFFAOYSA-N
MW320.18 g/mol
LogP0.55
Rot. Bonds3

About N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide

N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide (PubChem CID 106668030) has the molecular formula C12H15Cl2N3O3 and a molecular weight of 320.18 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
PubChem CID106668030
Molecular FormulaC12H15Cl2N3O3
Molecular Weight320.18 g/mol
Exact Mass319.05
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
SMILESNc1cc(Cl)c(NC(=O)CN2CC(O)C(O)C2)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O3/c13-7-1-6(15)2-8(14)12(7)16-11(20)5-17-3-9(18)10(19)4-17/h1-2,9-10,18-19H,3-5,15H2,(H,16,20)
InChIKeyIDSRSMWZXRCJNY-UHFFFAOYSA-N
XLogP0.55
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)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-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55131355
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668021
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(4-amino-2,6-dichlorophenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62491302
N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 29294980
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide
CID 115559008
N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide
CID 60884915
N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
CID 114537216
N-(4-amino-2-chlorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
CID 103531130
N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 55203691
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide (CID 106668030) is N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide is Nc1cc(Cl)c(NC(=O)CN2CC(O)C(O)C2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The InChIKey is IDSRSMWZXRCJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O3/c13-7-1-6(15)2-8(14)12(7)16-11(20)5-17-3-9(18)10(19)4-17/h1-2,9-10,18-19H,3-5,15H2,(H,16,20).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide has a molecular weight of 320.18 g/mol, XLogP of 0.55, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 106668030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).