3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide

C23H23F3N2O3 — CID 146120417

IUPAC3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide
SMILESO=C(N[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C23H23F3N2O3/c24-16-3-1-14(2-4-16)20-12-19(13-21(20)23(30)28-5-7-31-8-6-28)27-22(29)15-9-17(25)11-18(26)10-15/h1-4,9-11,19-21H,5-8,12-13H2,(H,27,29)/t19-,20+,21-/m0/s1
InChIKeyNDEOZKVQRSOUFR-HBMCJLEFSA-N
MW432.44 g/mol
LogP3.25
Rot. Bonds4

About 3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide

3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide (PubChem CID 146120417) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide
PubChem CID146120417
Molecular FormulaC23H23F3N2O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Name3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide
SMILESO=C(N[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C23H23F3N2O3/c24-16-3-1-14(2-4-16)20-12-19(13-21(20)23(30)28-5-7-31-8-6-28)27-22(29)15-9-17(25)11-18(26)10-15/h1-4,9-11,19-21H,5-8,12-13H2,(H,27,29)/t19-,20+,21-/m0/s1
InChIKeyNDEOZKVQRSOUFR-HBMCJLEFSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide (CID 146120417) is 3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide is O=C(N[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2)C1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide?
The InChIKey is NDEOZKVQRSOUFR-HBMCJLEFSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c24-16-3-1-14(2-4-16)20-12-19(13-21(20)23(30)28-5-7-31-8-6-28)27-22(29)15-9-17(25)11-18(26)10-15/h1-4,9-11,19-21H,5-8,12-13H2,(H,27,29)/t19-,20+,21-/m0/s1.
What are the key properties of 3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide?
3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide has a molecular weight of 432.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(morpholine-4-carbonyl)cyclopentyl]benzamide is sourced from PubChem (CID 146120417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).