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

C26H25FN2O5 — CID 56774640

IUPACN-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccccc3F)cc2)cc1
InChIInChI=1S/C26H25FN2O5/c1-33-21-12-8-18(9-13-21)26(32)28-20-10-6-17(7-11-20)25(31)23-15-34-16-24(30)29(23)14-19-4-2-3-5-22(19)27/h2-13,23,25,31H,14-16H2,1H3,(H,28,32)/t23-,25-/m1/s1
InChIKeyAJSKCLRGTBHHOT-ILBGXUMGSA-N
MW464.49 g/mol
LogP3.55
Rot. Bonds7

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

N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide (PubChem CID 56774640) has the molecular formula C26H25FN2O5 and a molecular weight of 464.49 g/mol. Its IUPAC name is N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide
PubChem CID56774640
Molecular FormulaC26H25FN2O5
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC NameN-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccccc3F)cc2)cc1
InChIInChI=1S/C26H25FN2O5/c1-33-21-12-8-18(9-13-21)26(32)28-20-10-6-17(7-11-20)25(31)23-15-34-16-24(30)29(23)14-19-4-2-3-5-22(19)27/h2-13,23,25,31H,14-16H2,1H3,(H,28,32)/t23-,25-/m1/s1
InChIKeyAJSKCLRGTBHHOT-ILBGXUMGSA-N
XLogP3.55
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide
CID 56774641
3-cyano-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]benzamide
CID 75537147
2-chloro-N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-4-carboxamide
CID 56774662
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3,3-dimethylbutanamide
CID 56774643
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774659
N-[4-[(R)-[(3R)-4-[(4-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 56774679
N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-2-methoxyacetamide
CID 56774749
N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide
CID 56774739
N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
CID 138990882
N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide
CID 56774612
N-[4-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380
N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-methoxybenzamide
CID 56774920

Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide (CID 56774640) is N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccccc3F)cc2)cc1.
What is the InChIKey of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide?
The InChIKey is AJSKCLRGTBHHOT-ILBGXUMGSA-N. The full InChI is InChI=1S/C26H25FN2O5/c1-33-21-12-8-18(9-13-21)26(32)28-20-10-6-17(7-11-20)25(31)23-15-34-16-24(30)29(23)14-19-4-2-3-5-22(19)27/h2-13,23,25,31H,14-16H2,1H3,(H,28,32)/t23-,25-/m1/s1.
What are the key properties of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide?
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide has a molecular weight of 464.49 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 56774640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).