4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide

C17H16BrFN2O — CID 113092341

IUPAC4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(F)ccc1N1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O/c18-13-5-3-12(4-6-13)17(22)20-15-11-14(19)7-8-16(15)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyIRABFDWCEOHMAS-UHFFFAOYSA-N
MW363.23 g/mol
LogP4.44
Rot. Bonds3

About 4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide

4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 113092341) has the molecular formula C17H16BrFN2O and a molecular weight of 363.23 g/mol. Its IUPAC name is 4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID113092341
Molecular FormulaC17H16BrFN2O
Molecular Weight363.23 g/mol
Exact Mass362.04
IUPAC Name4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cc(F)ccc1N1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O/c18-13-5-3-12(4-6-13)17(22)20-15-11-14(19)7-8-16(15)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyIRABFDWCEOHMAS-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092689
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092377
N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092590
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344
3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092337
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluorobenzamide
CID 24789878
2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50777019
2-fluoro-N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092591

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide (CID 113092341) is 4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1cc(F)ccc1N1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is IRABFDWCEOHMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O/c18-13-5-3-12(4-6-13)17(22)20-15-11-14(19)7-8-16(15)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22).
What are the key properties of 4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide?
4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 363.23 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 113092341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).