N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide

C20H22ClFN2O3 — CID 35041725

IUPACN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NC[C@H](c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C20H22ClFN2O3/c21-18-4-2-1-3-17(18)19(24-9-11-26-12-10-24)13-23-20(25)14-27-16-7-5-15(22)6-8-16/h1-8,19H,9-14H2,(H,23,25)/t19-/m1/s1
InChIKeyJYYSLRZBVSVWEE-LJQANCHMSA-N
MW392.86 g/mol
LogP3.05
Rot. Bonds7

About N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide

N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 35041725) has the molecular formula C20H22ClFN2O3 and a molecular weight of 392.86 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide
PubChem CID35041725
Molecular FormulaC20H22ClFN2O3
Molecular Weight392.86 g/mol
Exact Mass392.13
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NC[C@H](c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C20H22ClFN2O3/c21-18-4-2-1-3-17(18)19(24-9-11-26-12-10-24)13-23-20(25)14-27-16-7-5-15(22)6-8-16/h1-8,19H,9-14H2,(H,23,25)/t19-/m1/s1
InChIKeyJYYSLRZBVSVWEE-LJQANCHMSA-N
XLogP3.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 17012218
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide;hydrochloride
CID 52985007
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 35341646
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 35043345
2-(4-fluorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164114
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 35043337
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808
2-(2-chlorophenoxy)-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 45155134
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
2-(4-fluorophenoxy)-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]acetamide
CID 30605201
2-[4-[[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide
CID 34536248

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide (CID 35041725) is N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)NC[C@H](c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is JYYSLRZBVSVWEE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22ClFN2O3/c21-18-4-2-1-3-17(18)19(24-9-11-26-12-10-24)13-23-20(25)14-27-16-7-5-15(22)6-8-16/h1-8,19H,9-14H2,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide?
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 392.86 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 35041725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).