2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide

C13H17FN2O2 — CID 120944490

IUPAC2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC2CNCC2O)c1
InChIInChI=1S/C13H17FN2O2/c1-8-2-3-11(14)10(4-8)13(18)16-6-9-5-15-7-12(9)17/h2-4,9,12,15,17H,5-7H2,1H3,(H,16,18)
InChIKeyXGKCTGKMAZYECR-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.44
Rot. Bonds3

About 2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide

2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide (PubChem CID 120944490) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
PubChem CID120944490
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC2CNCC2O)c1
InChIInChI=1S/C13H17FN2O2/c1-8-2-3-11(14)10(4-8)13(18)16-6-9-5-15-7-12(9)17/h2-4,9,12,15,17H,5-7H2,1H3,(H,16,18)
InChIKeyXGKCTGKMAZYECR-UHFFFAOYSA-N
XLogP0.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-iodo-5-methylbenzamide;hydrochloride
CID 120948282
4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120945409
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794
2-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846
N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 113272633
2-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylbenzamide;hydrochloride
CID 120945848
2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944182
3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 120946334
2-fluoro-5-methyl-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62516361
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 120947929

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide (CID 120944490) is 2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCC2CNCC2O)c1.
What is the InChIKey of 2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide?
The InChIKey is XGKCTGKMAZYECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8-2-3-11(14)10(4-8)13(18)16-6-9-5-15-7-12(9)17/h2-4,9,12,15,17H,5-7H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide?
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide has a molecular weight of 252.29 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide is sourced from PubChem (CID 120944490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).