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

C16H22FN3O2 — CID 125147298

IUPAC3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCN(C(=O)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCNC1
InChIInChI=1S/C16H22FN3O2/c1-19(13-4-5-18-11-13)16(21)12-2-3-15(14(17)10-12)20-6-8-22-9-7-20/h2-3,10,13,18H,4-9,11H2,1H3/t13-/m1/s1
InChIKeyXEDQGOPOQIWVBK-CYBMUJFWSA-N
MW307.37 g/mol
LogP1.10
Rot. Bonds3

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

3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 125147298) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID125147298
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCN(C(=O)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCNC1
InChIInChI=1S/C16H22FN3O2/c1-19(13-4-5-18-11-13)16(21)12-2-3-15(14(17)10-12)20-6-8-22-9-7-20/h2-3,10,13,18H,4-9,11H2,1H3/t13-/m1/s1
InChIKeyXEDQGOPOQIWVBK-CYBMUJFWSA-N
XLogP1.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613864
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554748
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride
CID 119442759
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119550758
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 125146023
4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 122147805
N-methyl-1-methylsulfonyl-N-pyrrolidin-3-yl-2,3-dihydroindole-5-carboxamide
CID 119551449
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550855

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 125147298) is 3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide is CN(C(=O)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCNC1.
What is the InChIKey of 3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is XEDQGOPOQIWVBK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-19(13-4-5-18-11-13)16(21)12-2-3-15(14(17)10-12)20-6-8-22-9-7-20/h2-3,10,13,18H,4-9,11H2,1H3/t13-/m1/s1.
What are the key properties of 3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide?
3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 307.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 125147298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).