2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide

C21H22Cl2N2O4 — CID 132772464

IUPAC2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide
SMILESNC(=O)CC1(COc2ccc(Cl)cc2)CN(C(=O)Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C21H22Cl2N2O4/c22-16-3-1-15(2-4-16)11-20(27)25-9-10-29-21(13-25,12-19(24)26)14-28-18-7-5-17(23)6-8-18/h1-8H,9-14H2,(H2,24,26)
InChIKeyBQJFULWVABKFOT-UHFFFAOYSA-N
MW437.32 g/mol
LogP3.09
Rot. Bonds7

About 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide

2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide (PubChem CID 132772464) has the molecular formula C21H22Cl2N2O4 and a molecular weight of 437.32 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide
PubChem CID132772464
Molecular FormulaC21H22Cl2N2O4
Molecular Weight437.32 g/mol
Exact Mass436.10
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide
SMILESNC(=O)CC1(COc2ccc(Cl)cc2)CN(C(=O)Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C21H22Cl2N2O4/c22-16-3-1-15(2-4-16)11-20(27)25-9-10-29-21(13-25,12-19(24)26)14-28-18-7-5-17(23)6-8-18/h1-8H,9-14H2,(H2,24,26)
InChIKeyBQJFULWVABKFOT-UHFFFAOYSA-N
XLogP3.09
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-propan-2-ylpiperazin-1-yl)acetyl]morpholin-2-yl]acetamide
CID 132772866
2-[2-[(4-chlorophenoxy)methyl]-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetamide
CID 132766305
2-[4-[(4-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]acetamide
CID 132776542
2-[(2R)-4-benzyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]acetamide
CID 124960032
2-[2-[(4-fluorophenoxy)methyl]-4-(pyridine-2-carbonyl)morpholin-2-yl]acetamide
CID 132771130
2-[2-[(4-chlorophenoxy)methyl]-4-[(2,5-difluorophenyl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 132773624
2-[(2S)-2-[(4-chlorophenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]-1-piperidin-1-ylethanone
CID 125018103
2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide
CID 124947580
2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide
CID 124947579
2-[2-[(4-fluorophenoxy)methyl]-4-(3-methylbenzoyl)morpholin-2-yl]acetamide
CID 132765746
N-benzyl-2-[2-[(4-chlorophenoxy)methyl]-4-[2-(3-methoxyphenoxy)acetyl]morpholin-2-yl]-N-methylacetamide
CID 132781040
(2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
CID 95839493

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide (CID 132772464) is 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide is NC(=O)CC1(COc2ccc(Cl)cc2)CN(C(=O)Cc2ccc(Cl)cc2)CCO1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide?
The InChIKey is BQJFULWVABKFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O4/c22-16-3-1-15(2-4-16)11-20(27)25-9-10-29-21(13-25,12-19(24)26)14-28-18-7-5-17(23)6-8-18/h1-8H,9-14H2,(H2,24,26).
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide?
2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide has a molecular weight of 437.32 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 132772464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).