2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride

C12H15Cl4N3O — CID 119905192

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
SMILESCl.N[C@@H]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C12H14Cl3N3O.ClH/c13-8-3-10(15)11(4-9(8)14)17-12(19)6-18-2-1-7(16)5-18;/h3-4,7H,1-2,5-6,16H2,(H,17,19);1H/t7-;/m1./s1
InChIKeyBKMFCKYSZHZXGP-OGFXRTJISA-N
MW359.08 g/mol
LogP3.04
Rot. Bonds3

About 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride (PubChem CID 119905192) has the molecular formula C12H15Cl4N3O and a molecular weight of 359.08 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
PubChem CID119905192
Molecular FormulaC12H15Cl4N3O
Molecular Weight359.08 g/mol
Exact Mass357.00
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
SMILESCl.N[C@@H]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C12H14Cl3N3O.ClH/c13-8-3-10(15)11(4-9(8)14)17-12(19)6-18-2-1-7(16)5-18;/h3-4,7H,1-2,5-6,16H2,(H,17,19);1H/t7-;/m1./s1
InChIKeyBKMFCKYSZHZXGP-OGFXRTJISA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.08
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 99783586
1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxylic acid
CID 119907939
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119920610
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119933718
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 17276248
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119925484
2-(3-aminopyrrolidin-1-yl)-N-(3,5-difluorophenyl)acetamide;hydrochloride
CID 119917422
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386
2-[(3S)-3-methylpiperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 104977240

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride (CID 119905192) is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride is Cl.N[C@@H]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride?
The InChIKey is BKMFCKYSZHZXGP-OGFXRTJISA-N. The full InChI is InChI=1S/C12H14Cl3N3O.ClH/c13-8-3-10(15)11(4-9(8)14)17-12(19)6-18-2-1-7(16)5-18;/h3-4,7H,1-2,5-6,16H2,(H,17,19);1H/t7-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride?
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride has a molecular weight of 359.08 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119905192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).