4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide

C14H19FN2O2 — CID 125146023

IUPAC4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCOCc1cc(C(=O)N(C)[C@@H]2CCNC2)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-17(12-5-6-16-8-12)14(18)10-3-4-13(15)11(7-10)9-19-2/h3-4,7,12,16H,5-6,8-9H2,1-2H3/t12-/m1/s1
InChIKeyBWMZOMSXVAOEKH-GFCCVEGCSA-N
MW266.32 g/mol
LogP1.41
Rot. Bonds4

About 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide

4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 125146023) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID125146023
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCOCc1cc(C(=O)N(C)[C@@H]2CCNC2)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-17(12-5-6-16-8-12)14(18)10-3-4-13(15)11(7-10)9-19-2/h3-4,7,12,16H,5-6,8-9H2,1-2H3/t12-/m1/s1
InChIKeyBWMZOMSXVAOEKH-GFCCVEGCSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 122147805
4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 81284942
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552321
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805831
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564
4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550855

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 125146023) is 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide is COCc1cc(C(=O)N(C)[C@@H]2CCNC2)ccc1F.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is BWMZOMSXVAOEKH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(12-5-6-16-8-12)14(18)10-3-4-13(15)11(7-10)9-19-2/h3-4,7,12,16H,5-6,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 125146023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).