2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide

C15H16BrN3O2 — CID 114887472

IUPAC2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide
SMILESNC(=O)c1c(Br)cccc1NCC(O)c1ccc(N)cc1
InChIInChI=1S/C15H16BrN3O2/c16-11-2-1-3-12(14(11)15(18)21)19-8-13(20)9-4-6-10(17)7-5-9/h1-7,13,19-20H,8,17H2,(H2,18,21)
InChIKeyONCYGUWNNRWVCB-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.28
Rot. Bonds5

About 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide

2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide (PubChem CID 114887472) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide.

Molecular Properties

Compound Name2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide
PubChem CID114887472
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide
SMILESNC(=O)c1c(Br)cccc1NCC(O)c1ccc(N)cc1
InChIInChI=1S/C15H16BrN3O2/c16-11-2-1-3-12(14(11)15(18)21)19-8-13(20)9-4-6-10(17)7-5-9/h1-7,13,19-20H,8,17H2,(H2,18,21)
InChIKeyONCYGUWNNRWVCB-UHFFFAOYSA-N
XLogP2.28
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide?
The IUPAC name of 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide (CID 114887472) is 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide.
What is the SMILES notation for 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide?
The canonical SMILES for 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide is NC(=O)c1c(Br)cccc1NCC(O)c1ccc(N)cc1.
What is the InChIKey of 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide?
The InChIKey is ONCYGUWNNRWVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-11-2-1-3-12(14(11)15(18)21)19-8-13(20)9-4-6-10(17)7-5-9/h1-7,13,19-20H,8,17H2,(H2,18,21).
What are the key properties of 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide?
2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide has a molecular weight of 350.22 g/mol, XLogP of 2.28, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-6-bromobenzamide is sourced from PubChem (CID 114887472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).