2-bromo-N-(2-pyrrol-1-ylethyl)benzamide

C13H13BrN2O — CID 110716239

IUPAC2-bromo-N-(2-pyrrol-1-ylethyl)benzamide
SMILESO=C(NCCn1cccc1)c1ccccc1Br
InChIInChI=1S/C13H13BrN2O/c14-12-6-2-1-5-11(12)13(17)15-7-10-16-8-3-4-9-16/h1-6,8-9H,7,10H2,(H,15,17)
InChIKeyZVBSKECDCKLISH-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.68
Rot. Bonds4

About 2-bromo-N-(2-pyrrol-1-ylethyl)benzamide

2-bromo-N-(2-pyrrol-1-ylethyl)benzamide (PubChem CID 110716239) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-bromo-N-(2-pyrrol-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-pyrrol-1-ylethyl)benzamide
PubChem CID110716239
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name2-bromo-N-(2-pyrrol-1-ylethyl)benzamide
SMILESO=C(NCCn1cccc1)c1ccccc1Br
InChIInChI=1S/C13H13BrN2O/c14-12-6-2-1-5-11(12)13(17)15-7-10-16-8-3-4-9-16/h1-6,8-9H,7,10H2,(H,15,17)
InChIKeyZVBSKECDCKLISH-UHFFFAOYSA-N
XLogP2.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(2-pyrrol-1-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide
CID 106898976
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
CID 103722595
2-amino-3-fluoro-N-(2-pyrrol-1-ylethyl)benzamide
CID 114182709
2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 4197807
2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571223
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
CID 14762566
2-bromo-N-(2-methylsulfanylethyl)benzamide
CID 51889373
5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide
CID 110742704
2-amino-5-fluoro-N-(2-pyrrol-1-ylethyl)benzamide
CID 106391087
2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide
CID 114309215
2-bromo-N-(3-methylsulfinylpropyl)benzamide
CID 115619981

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-pyrrol-1-ylethyl)benzamide?
The IUPAC name of 2-bromo-N-(2-pyrrol-1-ylethyl)benzamide (CID 110716239) is 2-bromo-N-(2-pyrrol-1-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-pyrrol-1-ylethyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-pyrrol-1-ylethyl)benzamide is O=C(NCCn1cccc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-pyrrol-1-ylethyl)benzamide?
The InChIKey is ZVBSKECDCKLISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-12-6-2-1-5-11(12)13(17)15-7-10-16-8-3-4-9-16/h1-6,8-9H,7,10H2,(H,15,17).
What are the key properties of 2-bromo-N-(2-pyrrol-1-ylethyl)benzamide?
2-bromo-N-(2-pyrrol-1-ylethyl)benzamide has a molecular weight of 293.16 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-pyrrol-1-ylethyl)benzamide is sourced from PubChem (CID 110716239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).