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

C12H16ClN3O3 — CID 106668021

IUPACN-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
SMILESNc1cc(NC(=O)CN2CC(O)C(O)C2)ccc1Cl
InChIInChI=1S/C12H16ClN3O3/c13-8-2-1-7(3-9(8)14)15-12(19)6-16-4-10(17)11(18)5-16/h1-3,10-11,17-18H,4-6,14H2,(H,15,19)
InChIKeySWPCZLIEPLGNBG-UHFFFAOYSA-N
MW285.73 g/mol
LogP-0.10
Rot. Bonds3

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

N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide (PubChem CID 106668021) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
PubChem CID106668021
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
SMILESNc1cc(NC(=O)CN2CC(O)C(O)C2)ccc1Cl
InChIInChI=1S/C12H16ClN3O3/c13-8-2-1-7(3-9(8)14)15-12(19)6-16-4-10(17)11(18)5-16/h1-3,10-11,17-18H,4-6,14H2,(H,15,19)
InChIKeySWPCZLIEPLGNBG-UHFFFAOYSA-N
XLogP-0.10
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 5-0.10
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

N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106668037
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
N-(3-amino-4-chlorophenyl)-2-thiomorpholin-4-ylacetamide
CID 28786787
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(3-amino-4-chlorophenyl)acetamide
CID 79928265
N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956361
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668030
N-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide
CID 63605035
N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
CID 62057025
1-[2-(3-amino-4-chloroanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780082
N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide
CID 43575264
N-(3-amino-4-chlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 64577650

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide (CID 106668021) is N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide is Nc1cc(NC(=O)CN2CC(O)C(O)C2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The InChIKey is SWPCZLIEPLGNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c13-8-2-1-7(3-9(8)14)15-12(19)6-16-4-10(17)11(18)5-16/h1-3,10-11,17-18H,4-6,14H2,(H,15,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide has a molecular weight of 285.73 g/mol, XLogP of -0.10, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 106668021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).