2-(1-aminoethyl)-4-bromobenzamide

C9H11BrN2O — CID 70087597

IUPAC2-(1-aminoethyl)-4-bromobenzamide
SMILESCC(N)c1cc(Br)ccc1C(N)=O
InChIInChI=1S/C9H11BrN2O/c1-5(11)8-4-6(10)2-3-7(8)9(12)13/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyLICXLDWEVTXMIF-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.57
Rot. Bonds2

About 2-(1-aminoethyl)-4-bromobenzamide

2-(1-aminoethyl)-4-bromobenzamide (PubChem CID 70087597) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-bromobenzamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-bromobenzamide
PubChem CID70087597
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name2-(1-aminoethyl)-4-bromobenzamide
SMILESCC(N)c1cc(Br)ccc1C(N)=O
InChIInChI=1S/C9H11BrN2O/c1-5(11)8-4-6(10)2-3-7(8)9(12)13/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyLICXLDWEVTXMIF-UHFFFAOYSA-N
XLogP1.57
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[fluoro(methoxy)methyl]benzamide
CID 91249938
4-bromo-2-methylsulfanylbenzamide
CID 154647138
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
4-bromo-N-methyl-2-propan-2-ylbenzamide
CID 146035002
4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115401530
(1S)-1-(5-bromo-2-iodophenyl)ethanamine
CID 130737837
5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 140559964
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]butanamide
CID 78937476
2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115402255
2-[(2-amino-3-hydroxybutyl)amino]-4-bromobenzamide
CID 114905562
2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide
CID 102946264

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-bromobenzamide?
The IUPAC name of 2-(1-aminoethyl)-4-bromobenzamide (CID 70087597) is 2-(1-aminoethyl)-4-bromobenzamide.
What is the SMILES notation for 2-(1-aminoethyl)-4-bromobenzamide?
The canonical SMILES for 2-(1-aminoethyl)-4-bromobenzamide is CC(N)c1cc(Br)ccc1C(N)=O.
What is the InChIKey of 2-(1-aminoethyl)-4-bromobenzamide?
The InChIKey is LICXLDWEVTXMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-5(11)8-4-6(10)2-3-7(8)9(12)13/h2-5H,11H2,1H3,(H2,12,13).
What are the key properties of 2-(1-aminoethyl)-4-bromobenzamide?
2-(1-aminoethyl)-4-bromobenzamide has a molecular weight of 243.10 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-bromobenzamide is sourced from PubChem (CID 70087597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).