2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide

C17H17BrN2O — CID 28987913

IUPAC2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)c1ccccc1Br
InChIInChI=1S/C17H17BrN2O/c18-16-9-2-1-8-15(16)17(21)19-13-6-5-7-14(12-13)20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11H2,(H,19,21)
InChIKeyHGSVNYCVDGIODY-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.30
Rot. Bonds3

About 2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide

2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 28987913) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
PubChem CID28987913
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)c1ccccc1Br
InChIInChI=1S/C17H17BrN2O/c18-16-9-2-1-8-15(16)17(21)19-13-6-5-7-14(12-13)20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11H2,(H,19,21)
InChIKeyHGSVNYCVDGIODY-UHFFFAOYSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 75453052
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CID 166198478
2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 41077710
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66462445
2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55815022
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
CID 86832456
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 110362862
2-bromo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 42013873
2-bromo-N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]benzamide
CID 1055999

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide (CID 28987913) is 2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1cccc(N2CCCC2)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is HGSVNYCVDGIODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c18-16-9-2-1-8-15(16)17(21)19-13-6-5-7-14(12-13)20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11H2,(H,19,21).
What are the key properties of 2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide?
2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 345.24 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 28987913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).