2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide

C13H17BrN2O2 — CID 79720140

IUPAC2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1ccc(Br)cc1N)C1CC1
InChIInChI=1S/C13H17BrN2O2/c1-18-7-6-16(10-3-4-10)13(17)11-5-2-9(14)8-12(11)15/h2,5,8,10H,3-4,6-7,15H2,1H3
InChIKeyYRJUZSMQYTXCSF-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.28
Rot. Bonds5

About 2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide

2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide (PubChem CID 79720140) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide
PubChem CID79720140
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1ccc(Br)cc1N)C1CC1
InChIInChI=1S/C13H17BrN2O2/c1-18-7-6-16(10-3-4-10)13(17)11-5-2-9(14)8-12(11)15/h2,5,8,10H,3-4,6-7,15H2,1H3
InChIKeyYRJUZSMQYTXCSF-UHFFFAOYSA-N
XLogP2.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide (CID 79720140) is 2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide is COCCN(C(=O)c1ccc(Br)cc1N)C1CC1.
What is the InChIKey of 2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide?
The InChIKey is YRJUZSMQYTXCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-18-7-6-16(10-3-4-10)13(17)11-5-2-9(14)8-12(11)15/h2,5,8,10H,3-4,6-7,15H2,1H3.
What are the key properties of 2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide?
2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 79720140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).