2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide

C19H21ClN2O3 — CID 95415223

IUPAC2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H21ClN2O3/c20-16-5-3-15(4-6-16)18-12-22(9-10-24-18)11-14-1-7-17(8-2-14)25-13-19(21)23/h1-8,18H,9-13H2,(H2,21,23)/t18-/m1/s1
InChIKeyBVFBVJLWUUBWKT-GOSISDBHSA-N
MW360.84 g/mol
LogP2.78
Rot. Bonds6

About 2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide

2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide (PubChem CID 95415223) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide
PubChem CID95415223
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H21ClN2O3/c20-16-5-3-15(4-6-16)18-12-22(9-10-24-18)11-14-1-7-17(8-2-14)25-13-19(21)23/h1-8,18H,9-13H2,(H2,21,23)/t18-/m1/s1
InChIKeyBVFBVJLWUUBWKT-GOSISDBHSA-N
XLogP2.78
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate
CID 56878101
3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride
CID 142765989
3-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]benzoic acid
CID 122034855
2-(4-chlorophenoxy)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 30851045
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552824
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 62069126
2-[4-(4-chlorophenoxy)phenyl]-4-ethylmorpholine
CID 142654768
(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
(2R)-2-(4-bromophenyl)-4-[(4-methoxyphenyl)methyl]morpholine
CID 67351459
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate
CID 92969335
2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 77271449
1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 138994235

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide (CID 95415223) is 2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide is NC(=O)COc1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide?
The InChIKey is BVFBVJLWUUBWKT-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c20-16-5-3-15(4-6-16)18-12-22(9-10-24-18)11-14-1-7-17(8-2-14)25-13-19(21)23/h1-8,18H,9-13H2,(H2,21,23)/t18-/m1/s1.
What are the key properties of 2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide?
2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide has a molecular weight of 360.84 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 95415223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).