3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide

C26H22FN3O4 — CID 75537147

IUPAC3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccccc3F)cc2)c1
InChIInChI=1S/C26H22FN3O4/c27-22-7-2-1-5-20(22)14-30-23(15-34-16-24(30)31)25(32)18-8-10-21(11-9-18)29-26(33)19-6-3-4-17(12-19)13-28/h1-12,23,25,32H,14-16H2,(H,29,33)/t23-,25-/m1/s1
InChIKeyLHESUQXALJAIMF-ILBGXUMGSA-N
MW459.48 g/mol
LogP3.41
Rot. Bonds6

About 3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide

3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide (PubChem CID 75537147) has the molecular formula C26H22FN3O4 and a molecular weight of 459.48 g/mol. Its IUPAC name is 3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide
PubChem CID75537147
Molecular FormulaC26H22FN3O4
Molecular Weight459.48 g/mol
Exact Mass459.16
IUPAC Name3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccccc3F)cc2)c1
InChIInChI=1S/C26H22FN3O4/c27-22-7-2-1-5-20(22)14-30-23(15-34-16-24(30)31)25(32)18-8-10-21(11-9-18)29-26(33)19-6-3-4-17(12-19)13-28/h1-12,23,25,32H,14-16H2,(H,29,33)/t23-,25-/m1/s1
InChIKeyLHESUQXALJAIMF-ILBGXUMGSA-N
XLogP3.41
TPSA102.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide?
The IUPAC name of 3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide (CID 75537147) is 3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide is N#Cc1cccc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccccc3F)cc2)c1.
What is the InChIKey of 3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide?
The InChIKey is LHESUQXALJAIMF-ILBGXUMGSA-N. The full InChI is InChI=1S/C26H22FN3O4/c27-22-7-2-1-5-20(22)14-30-23(15-34-16-24(30)31)25(32)18-8-10-21(11-9-18)29-26(33)19-6-3-4-17(12-19)13-28/h1-12,23,25,32H,14-16H2,(H,29,33)/t23-,25-/m1/s1.
What are the key properties of 3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide?
3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide has a molecular weight of 459.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide is sourced from PubChem (CID 75537147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).