4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide

C16H23FN2O4 — CID 120947477

IUPAC4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide
SMILESCOCCOCc1cc(C(=O)NCC2CNCC2O)ccc1F
InChIInChI=1S/C16H23FN2O4/c1-22-4-5-23-10-12-6-11(2-3-14(12)17)16(21)19-8-13-7-18-9-15(13)20/h2-3,6,13,15,18,20H,4-5,7-10H2,1H3,(H,19,21)
InChIKeyQMPQGKRECGTZAI-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.30
Rot. Bonds8

About 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide

4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide (PubChem CID 120947477) has the molecular formula C16H23FN2O4 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide
PubChem CID120947477
Molecular FormulaC16H23FN2O4
Molecular Weight326.37 g/mol
Exact Mass326.16
IUPAC Name4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide
SMILESCOCCOCc1cc(C(=O)NCC2CNCC2O)ccc1F
InChIInChI=1S/C16H23FN2O4/c1-22-4-5-23-10-12-6-11(2-3-14(12)17)16(21)19-8-13-7-18-9-15(13)20/h2-3,6,13,15,18,20H,4-5,7-10H2,1H3,(H,19,21)
InChIKeyQMPQGKRECGTZAI-UHFFFAOYSA-N
XLogP0.30
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 120947929
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 120946250
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride
CID 119456779
[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone
CID 119401463
4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120598082
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 120943236
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 120946857
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120945363
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 120944561

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide?
The IUPAC name of 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide (CID 120947477) is 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide is COCCOCc1cc(C(=O)NCC2CNCC2O)ccc1F.
What is the InChIKey of 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide?
The InChIKey is QMPQGKRECGTZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4/c1-22-4-5-23-10-12-6-11(2-3-14(12)17)16(21)19-8-13-7-18-9-15(13)20/h2-3,6,13,15,18,20H,4-5,7-10H2,1H3,(H,19,21).
What are the key properties of 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide?
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide has a molecular weight of 326.37 g/mol, XLogP of 0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)benzamide is sourced from PubChem (CID 120947477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).