N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride

C4H8BrClF2N2O — CID 131677187

IUPACN-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride
SMILESCl.NCCNC(=O)C(F)(F)Br
InChIInChI=1S/C4H7BrF2N2O.ClH/c5-4(6,7)3(10)9-2-1-8;/h1-2,8H2,(H,9,10);1H
InChIKeyINLUDYKXWQOYNH-UHFFFAOYSA-N
MW253.47 g/mol
LogP0.47
Rot. Bonds3

About N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride

N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride (PubChem CID 131677187) has the molecular formula C4H8BrClF2N2O and a molecular weight of 253.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride
PubChem CID131677187
Molecular FormulaC4H8BrClF2N2O
Molecular Weight253.47 g/mol
Exact Mass251.95
IUPAC NameN-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride
SMILESCl.NCCNC(=O)C(F)(F)Br
InChIInChI=1S/C4H7BrF2N2O.ClH/c5-4(6,7)3(10)9-2-1-8;/h1-2,8H2,(H,9,10);1H
InChIKeyINLUDYKXWQOYNH-UHFFFAOYSA-N
XLogP0.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
1-N,1-N,1-N-tris(2-aminoethyl)ethane-1,1,1-tricarboxamide
CID 15388023
2-bromo-2,2-difluoroacetohydrazide
CID 15528645
N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride
CID 140860233
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
N-(2-aminoethyl)-2-methyl-2-(methylamino)propanamide
CID 62846737
N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide
CID 115514932
N-benzyl-2-bromo-2,2-difluoroacetamide
CID 86212006
bis[3-(2-aminoethylamino)-2,2-dimethyl-3-oxopropyl] oxalate
CID 57214184
N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 119382533
N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 130381501
N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride
CID 15239204

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride (CID 131677187) is N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride is Cl.NCCNC(=O)C(F)(F)Br.
What is the InChIKey of N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride?
The InChIKey is INLUDYKXWQOYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrF2N2O.ClH/c5-4(6,7)3(10)9-2-1-8;/h1-2,8H2,(H,9,10);1H.
What are the key properties of N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride?
N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride has a molecular weight of 253.47 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride is sourced from PubChem (CID 131677187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).