N-(2-aminoethyl)-3,5-dibromobenzamide

C9H10Br2N2O — CID 107971787

IUPACN-(2-aminoethyl)-3,5-dibromobenzamide
SMILESNCCNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C9H10Br2N2O/c10-7-3-6(4-8(11)5-7)9(14)13-2-1-12/h3-5H,1-2,12H2,(H,13,14)
InChIKeyGTZQYKOQOCHVDZ-UHFFFAOYSA-N
MW322.00 g/mol
LogP1.90
Rot. Bonds3

About N-(2-aminoethyl)-3,5-dibromobenzamide

N-(2-aminoethyl)-3,5-dibromobenzamide (PubChem CID 107971787) has the molecular formula C9H10Br2N2O and a molecular weight of 322.00 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,5-dibromobenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,5-dibromobenzamide
PubChem CID107971787
Molecular FormulaC9H10Br2N2O
Molecular Weight322.00 g/mol
Exact Mass319.92
IUPAC NameN-(2-aminoethyl)-3,5-dibromobenzamide
SMILESNCCNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C9H10Br2N2O/c10-7-3-6(4-8(11)5-7)9(14)13-2-1-12/h3-5H,1-2,12H2,(H,13,14)
InChIKeyGTZQYKOQOCHVDZ-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
3,5-dibromo-N-(2-sulfanylethyl)benzamide
CID 118586538
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
3,5-dibromo-N-(2-cyanoethyl)benzamide
CID 107168327
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
5-[(3,5-dibromobenzoyl)amino]-2-methylpentanoic acid
CID 107971700
3,5-dibromo-N-(4-methoxybutyl)benzamide
CID 103907947
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
N-[2-(4-aminophenoxy)ethyl]-3,5-dibromobenzamide
CID 107971002
3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 113349718
N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide
CID 104851935
3-amino-5-bromo-N-(4-hydroxybutyl)benzamide
CID 106840118

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,5-dibromobenzamide?
The IUPAC name of N-(2-aminoethyl)-3,5-dibromobenzamide (CID 107971787) is N-(2-aminoethyl)-3,5-dibromobenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3,5-dibromobenzamide?
The canonical SMILES for N-(2-aminoethyl)-3,5-dibromobenzamide is NCCNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of N-(2-aminoethyl)-3,5-dibromobenzamide?
The InChIKey is GTZQYKOQOCHVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2O/c10-7-3-6(4-8(11)5-7)9(14)13-2-1-12/h3-5H,1-2,12H2,(H,13,14).
What are the key properties of N-(2-aminoethyl)-3,5-dibromobenzamide?
N-(2-aminoethyl)-3,5-dibromobenzamide has a molecular weight of 322.00 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,5-dibromobenzamide is sourced from PubChem (CID 107971787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).