3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride

C12H15BrClFN2O2 — CID 120943825

IUPAC3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H14BrFN2O2.ClH/c13-9-3-7(1-2-10(9)14)12(18)16-5-8-4-15-6-11(8)17;/h1-3,8,11,15,17H,4-6H2,(H,16,18);1H
InChIKeyVSQUFLNISOKXGS-UHFFFAOYSA-N
MW353.62 g/mol
LogP1.32
Rot. Bonds3

About 3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride

3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride (PubChem CID 120943825) has the molecular formula C12H15BrClFN2O2 and a molecular weight of 353.62 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
PubChem CID120943825
Molecular FormulaC12H15BrClFN2O2
Molecular Weight353.62 g/mol
Exact Mass352.00
IUPAC Name3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H14BrFN2O2.ClH/c13-9-3-7(1-2-10(9)14)12(18)16-5-8-4-15-6-11(8)17;/h1-3,8,11,15,17H,4-6H2,(H,16,18);1H
InChIKeyVSQUFLNISOKXGS-UHFFFAOYSA-N
XLogP1.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.62
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 120947929
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide
CID 103706830
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide
CID 120947477
2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944140
4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120945409
4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride
CID 120945283
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 120944561
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-bromo-4-fluorobenzamide
CID 107956016
3-bromo-N-[(4-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 114147917

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The IUPAC name of 3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride (CID 120943825) is 3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for 3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride is Cl.O=C(NCC1CNCC1O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The InChIKey is VSQUFLNISOKXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2.ClH/c13-9-3-7(1-2-10(9)14)12(18)16-5-8-4-15-6-11(8)17;/h1-3,8,11,15,17H,4-6H2,(H,16,18);1H.
What are the key properties of 3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride has a molecular weight of 353.62 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 120943825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).