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

C13H18ClFN2O3 — CID 120944009

IUPAC3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC2CNCC2O)cc1F.Cl
InChIInChI=1S/C13H17FN2O3.ClH/c1-19-12-3-2-8(4-10(12)14)13(18)16-6-9-5-15-7-11(9)17;/h2-4,9,11,15,17H,5-7H2,1H3,(H,16,18);1H
InChIKeyLGGOFFPJKJPTEX-UHFFFAOYSA-N
MW304.75 g/mol
LogP0.57
Rot. Bonds4

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

3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride (PubChem CID 120944009) has the molecular formula C13H18ClFN2O3 and a molecular weight of 304.75 g/mol. Its IUPAC name is 3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
PubChem CID120944009
Molecular FormulaC13H18ClFN2O3
Molecular Weight304.75 g/mol
Exact Mass304.10
IUPAC Name3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC2CNCC2O)cc1F.Cl
InChIInChI=1S/C13H17FN2O3.ClH/c1-19-12-3-2-8(4-10(12)14)13(18)16-6-9-5-15-7-11(9)17;/h2-4,9,11,15,17H,5-7H2,1H3,(H,16,18);1H
InChIKeyLGGOFFPJKJPTEX-UHFFFAOYSA-N
XLogP0.57
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide
CID 120947477
3-(3-fluoro-4-methoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120943968
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114317199
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 120946857
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 120947929
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946649
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 82732425
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 120943236

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride?
The IUPAC name of 3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride (CID 120944009) is 3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride.
What is the SMILES notation for 3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride?
The canonical SMILES for 3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride is COc1ccc(C(=O)NCC2CNCC2O)cc1F.Cl.
What is the InChIKey of 3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride?
The InChIKey is LGGOFFPJKJPTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3.ClH/c1-19-12-3-2-8(4-10(12)14)13(18)16-6-9-5-15-7-11(9)17;/h2-4,9,11,15,17H,5-7H2,1H3,(H,16,18);1H.
What are the key properties of 3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride?
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride has a molecular weight of 304.75 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride is sourced from PubChem (CID 120944009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).