2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

C21H25FN2O5 — CID 36737398

IUPAC2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)cc(OC)c1OC
InChIInChI=1S/C21H25FN2O5/c1-26-17-10-16(11-18(27-2)21(17)28-3)23-20(25)13-24-8-9-29-19(12-24)14-4-6-15(22)7-5-14/h4-7,10-11,19H,8-9,12-13H2,1-3H3,(H,23,25)/t19-/m0/s1
InChIKeyGIEQRKQMGMBBQU-IBGZPJMESA-N
MW404.44 g/mol
LogP2.86
Rot. Bonds7

About 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 36737398) has the molecular formula C21H25FN2O5 and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID36737398
Molecular FormulaC21H25FN2O5
Molecular Weight404.44 g/mol
Exact Mass404.17
IUPAC Name2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)cc(OC)c1OC
InChIInChI=1S/C21H25FN2O5/c1-26-17-10-16(11-18(27-2)21(17)28-3)23-20(25)13-24-8-9-29-19(12-24)14-4-6-15(22)7-5-14/h4-7,10-11,19H,8-9,12-13H2,1-3H3,(H,23,25)/t19-/m0/s1
InChIKeyGIEQRKQMGMBBQU-IBGZPJMESA-N
XLogP2.86
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 36737265
4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide
CID 55566264
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42888495
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 36874378
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(3-fluorophenyl)acetamide
CID 60504856
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 46571445
3-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methoxyphenyl)propanamide
CID 43065717
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 51934042
2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol
CID 97063266
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methylphenyl)acetamide
CID 60516267
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55566155
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methylcyclohexyl)acetamide
CID 42949577

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 36737398) is 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)cc(OC)c1OC.
What is the InChIKey of 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is GIEQRKQMGMBBQU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25FN2O5/c1-26-17-10-16(11-18(27-2)21(17)28-3)23-20(25)13-24-8-9-29-19(12-24)14-4-6-15(22)7-5-14/h4-7,10-11,19H,8-9,12-13H2,1-3H3,(H,23,25)/t19-/m0/s1.
What are the key properties of 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 404.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 36737398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).