N-(2-aminoethyl)-3-bromobenzamide

C9H11BrN2O — CID 10705366

IUPACN-(2-aminoethyl)-3-bromobenzamide
SMILESNCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C9H11BrN2O/c10-8-3-1-2-7(6-8)9(13)12-5-4-11/h1-3,6H,4-5,11H2,(H,12,13)
InChIKeyWRQPJKCUPLIGAV-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.14
Rot. Bonds3

About N-(2-aminoethyl)-3-bromobenzamide

N-(2-aminoethyl)-3-bromobenzamide (PubChem CID 10705366) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-bromobenzamide
PubChem CID10705366
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC NameN-(2-aminoethyl)-3-bromobenzamide
SMILESNCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C9H11BrN2O/c10-8-3-1-2-7(6-8)9(13)12-5-4-11/h1-3,6H,4-5,11H2,(H,12,13)
InChIKeyWRQPJKCUPLIGAV-UHFFFAOYSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-bromobenzamide?
The IUPAC name of N-(2-aminoethyl)-3-bromobenzamide (CID 10705366) is N-(2-aminoethyl)-3-bromobenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-bromobenzamide?
The canonical SMILES for N-(2-aminoethyl)-3-bromobenzamide is NCCNC(=O)c1cccc(Br)c1.
What is the InChIKey of N-(2-aminoethyl)-3-bromobenzamide?
The InChIKey is WRQPJKCUPLIGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-8-3-1-2-7(6-8)9(13)12-5-4-11/h1-3,6H,4-5,11H2,(H,12,13).
What are the key properties of N-(2-aminoethyl)-3-bromobenzamide?
N-(2-aminoethyl)-3-bromobenzamide has a molecular weight of 243.10 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-bromobenzamide is sourced from PubChem (CID 10705366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).