N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide

C13H18ClN3O — CID 54882152

IUPACN-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
SMILESCC1CCCN1CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-9-3-2-6-17(9)8-13(18)16-12-5-4-10(15)7-11(12)14/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,16,18)
InChIKeyVBLYREPNTGFEHX-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.35
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide

N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide (PubChem CID 54882152) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
PubChem CID54882152
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
SMILESCC1CCCN1CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-9-3-2-6-17(9)8-13(18)16-12-5-4-10(15)7-11(12)14/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,16,18)
InChIKeyVBLYREPNTGFEHX-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407752
N-(2-chloro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2412165
N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62331552
N-(4-chloro-2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583329
N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
CID 114537216
N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 61421322
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide
CID 115559008
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697996
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
N-(2,4-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583301

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide (CID 54882152) is N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide is CC1CCCN1CC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide?
The InChIKey is VBLYREPNTGFEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9-3-2-6-17(9)8-13(18)16-12-5-4-10(15)7-11(12)14/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,16,18).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide?
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide has a molecular weight of 267.76 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 54882152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).