N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide

C13H18ClN3O2 — CID 103355475

IUPACN-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
SMILESCC1(O)CCN(CC(=O)Nc2cc(N)ccc2Cl)C1
InChIInChI=1S/C13H18ClN3O2/c1-13(19)4-5-17(8-13)7-12(18)16-11-6-9(15)2-3-10(11)14/h2-3,6,19H,4-5,7-8,15H2,1H3,(H,16,18)
InChIKeyGTRNJAVCWBSGCG-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.32
Rot. Bonds3

About N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide

N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide (PubChem CID 103355475) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
PubChem CID103355475
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
SMILESCC1(O)CCN(CC(=O)Nc2cc(N)ccc2Cl)C1
InChIInChI=1S/C13H18ClN3O2/c1-13(19)4-5-17(8-13)7-12(18)16-11-6-9(15)2-3-10(11)14/h2-3,6,19H,4-5,7-8,15H2,1H3,(H,16,18)
InChIKeyGTRNJAVCWBSGCG-UHFFFAOYSA-N
XLogP1.32
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-chlorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)acetamide
CID 63156744
N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 43592349
N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide
CID 103355525
N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide
CID 63216260
N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728446
N-(4-amino-2-methoxyphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81098626
N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728546
N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide
CID 171701418
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584042
N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81099067
1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375570

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide (CID 103355475) is N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide is CC1(O)CCN(CC(=O)Nc2cc(N)ccc2Cl)C1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The InChIKey is GTRNJAVCWBSGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-13(19)4-5-17(8-13)7-12(18)16-11-6-9(15)2-3-10(11)14/h2-3,6,19H,4-5,7-8,15H2,1H3,(H,16,18).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide has a molecular weight of 283.76 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 103355475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).