3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide

C20H18FN3O2S — CID 121144700

IUPAC3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2nccs2)C1)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H18FN3O2S/c21-15-4-6-17(7-5-15)26-18-3-1-2-14(12-18)19(25)23-16-8-10-24(13-16)20-22-9-11-27-20/h1-7,9,11-12,16H,8,10,13H2,(H,23,25)
InChIKeyPWCRNUGXSUYORZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.08
Rot. Bonds5

About 3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide

3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide (PubChem CID 121144700) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
PubChem CID121144700
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2nccs2)C1)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C20H18FN3O2S/c21-15-4-6-17(7-5-15)26-18-3-1-2-14(12-18)19(25)23-16-8-10-24(13-16)20-22-9-11-27-20/h1-7,9,11-12,16H,8,10,13H2,(H,23,25)
InChIKeyPWCRNUGXSUYORZ-UHFFFAOYSA-N
XLogP4.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144744
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144613
4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 99875296
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzothiazole-6-carboxamide
CID 99875383
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 121144564
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597214
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
CID 121144787
4-[(3-methylphenyl)sulfonylamino]-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 99875343
4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597226

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide (CID 121144700) is 3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide is O=C(NC1CCN(c2nccs2)C1)c1cccc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is PWCRNUGXSUYORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c21-15-4-6-17(7-5-15)26-18-3-1-2-14(12-18)19(25)23-16-8-10-24(13-16)20-22-9-11-27-20/h1-7,9,11-12,16H,8,10,13H2,(H,23,25).
What are the key properties of 3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121144700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).