N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide

C13H17BrN2O — CID 138471913

IUPACN-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide
SMILESNCCN(C(=O)CBr)C1(c2ccccc2)CC1
InChIInChI=1S/C13H17BrN2O/c14-10-12(17)16(9-8-15)13(6-7-13)11-4-2-1-3-5-11/h1-5H,6-10,15H2
InChIKeyNLPDNNVPNLZYNK-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.86
Rot. Bonds5

About N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide

N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide (PubChem CID 138471913) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide
PubChem CID138471913
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide
SMILESNCCN(C(=O)CBr)C1(c2ccccc2)CC1
InChIInChI=1S/C13H17BrN2O/c14-10-12(17)16(9-8-15)13(6-7-13)11-4-2-1-3-5-11/h1-5H,6-10,15H2
InChIKeyNLPDNNVPNLZYNK-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide (CID 138471913) is N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide is NCCN(C(=O)CBr)C1(c2ccccc2)CC1.
What is the InChIKey of N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide?
The InChIKey is NLPDNNVPNLZYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-10-12(17)16(9-8-15)13(6-7-13)11-4-2-1-3-5-11/h1-5H,6-10,15H2.
What are the key properties of N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide?
N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide has a molecular weight of 297.20 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-bromo-N-(1-phenylcyclopropyl)acetamide is sourced from PubChem (CID 138471913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).