2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

C26H27F2N3O3 — CID 33072186

IUPAC2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H27F2N3O3/c27-26(28)34-23-12-6-20(7-13-23)25(19-4-2-1-3-5-19)29-18-24(32)30-21-8-10-22(11-9-21)31-14-16-33-17-15-31/h1-13,25-26,29H,14-18H2,(H,30,32)/t25-/m1/s1
InChIKeyFRVGFYIYPUWKHW-RUZDIDTESA-N
MW467.52 g/mol
LogP4.44
Rot. Bonds9

About 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 33072186) has the molecular formula C26H27F2N3O3 and a molecular weight of 467.52 g/mol. Its IUPAC name is 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID33072186
Molecular FormulaC26H27F2N3O3
Molecular Weight467.52 g/mol
Exact Mass467.20
IUPAC Name2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H27F2N3O3/c27-26(28)34-23-12-6-20(7-13-23)25(19-4-2-1-3-5-19)29-18-24(32)30-21-8-10-22(11-9-21)31-14-16-33-17-15-31/h1-13,25-26,29H,14-18H2,(H,30,32)/t25-/m1/s1
InChIKeyFRVGFYIYPUWKHW-RUZDIDTESA-N
XLogP4.44
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 60537251
N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 40894967
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8830920
2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8830857
2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41410548
N-[4-(difluoromethoxy)phenyl]-3,3-diphenylpropanamide
CID 7941321
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8593396
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide
CID 8830778
N-[[(2R)-butan-2-yl]carbamoyl]-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 8720427
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 33072186) is 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is FRVGFYIYPUWKHW-RUZDIDTESA-N. The full InChI is InChI=1S/C26H27F2N3O3/c27-26(28)34-23-12-6-20(7-13-23)25(19-4-2-1-3-5-19)29-18-24(32)30-21-8-10-22(11-9-21)31-14-16-33-17-15-31/h1-13,25-26,29H,14-18H2,(H,30,32)/t25-/m1/s1.
What are the key properties of 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 467.52 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 33072186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).