2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone

C12H15Cl2N3O — CID 106890724

IUPAC2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
SMILESNc1cc(Cl)c(NCC(=O)N2CCCC2)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O/c13-9-5-8(15)6-10(14)12(9)16-7-11(18)17-3-1-2-4-17/h5-6,16H,1-4,7,15H2
InChIKeyFBTGBLHZMPNCEY-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.61
Rot. Bonds3

About 2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone

2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone (PubChem CID 106890724) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is 2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
PubChem CID106890724
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC Name2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
SMILESNc1cc(Cl)c(NCC(=O)N2CCCC2)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O/c13-9-5-8(15)6-10(14)12(9)16-7-11(18)17-3-1-2-4-17/h5-6,16H,1-4,7,15H2
InChIKeyFBTGBLHZMPNCEY-UHFFFAOYSA-N
XLogP2.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.61
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

2-(4-bromo-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
CID 28993380
5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide
CID 107196630
2-(3,4-diaminoanilino)-1-piperidin-1-ylethanone
CID 106751115
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208
2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone
CID 115279721
1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone
CID 102751793
2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone
CID 60694052
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835
2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone
CID 65467650
ethyl 4-[2-(2-chloro-4,6-dimethylanilino)acetyl]piperazine-1-carboxylate
CID 109003879
5-amino-3-chloro-2-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 107195763
3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687673

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone (CID 106890724) is 2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone is Nc1cc(Cl)c(NCC(=O)N2CCCC2)c(Cl)c1.
What is the InChIKey of 2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone?
The InChIKey is FBTGBLHZMPNCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c13-9-5-8(15)6-10(14)12(9)16-7-11(18)17-3-1-2-4-17/h5-6,16H,1-4,7,15H2.
What are the key properties of 2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone?
2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone has a molecular weight of 288.18 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 106890724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).