2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide

C18H18BrFN2O — CID 55621618

IUPAC2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CCN(c2ccccc2)C1)c1ccc(F)cc1Br
InChIInChI=1S/C18H18BrFN2O/c19-17-10-14(20)6-7-16(17)18(23)21-11-13-8-9-22(12-13)15-4-2-1-3-5-15/h1-7,10,13H,8-9,11-12H2,(H,21,23)
InChIKeyAOQJIDVGKZIUOS-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.84
Rot. Bonds4

About 2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide

2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 55621618) has the molecular formula C18H18BrFN2O and a molecular weight of 377.26 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
PubChem CID55621618
Molecular FormulaC18H18BrFN2O
Molecular Weight377.26 g/mol
Exact Mass376.06
IUPAC Name2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CCN(c2ccccc2)C1)c1ccc(F)cc1Br
InChIInChI=1S/C18H18BrFN2O/c19-17-10-14(20)6-7-16(17)18(23)21-11-13-8-9-22(12-13)15-4-2-1-3-5-15/h1-7,10,13H,8-9,11-12H2,(H,21,23)
InChIKeyAOQJIDVGKZIUOS-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 51125497
2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106123468
5-bromo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 35201071
5-fluoro-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 55996331
2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
CID 55678741
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72931509
5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide
CID 47055377
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide (CID 55621618) is 2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide is O=C(NCC1CCN(c2ccccc2)C1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is AOQJIDVGKZIUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O/c19-17-10-14(20)6-7-16(17)18(23)21-11-13-8-9-22(12-13)15-4-2-1-3-5-15/h1-7,10,13H,8-9,11-12H2,(H,21,23).
What are the key properties of 2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide?
2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 377.26 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 55621618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).