N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide

C18H18ClIN2O3 — CID 55507135

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C18H18ClIN2O3/c19-15-2-1-3-16(18(15)22-8-10-24-11-9-22)21-17(23)12-25-14-6-4-13(20)5-7-14/h1-7H,8-12H2,(H,21,23)
InChIKeyIQDKIANQZBZWBJ-UHFFFAOYSA-N
MW472.71 g/mol
LogP3.80
Rot. Bonds5

About N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide

N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide (PubChem CID 55507135) has the molecular formula C18H18ClIN2O3 and a molecular weight of 472.71 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide
PubChem CID55507135
Molecular FormulaC18H18ClIN2O3
Molecular Weight472.71 g/mol
Exact Mass472.01
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C18H18ClIN2O3/c19-15-2-1-3-16(18(15)22-8-10-24-11-9-22)21-17(23)12-25-14-6-4-13(20)5-7-14/h1-7H,8-12H2,(H,21,23)
InChIKeyIQDKIANQZBZWBJ-UHFFFAOYSA-N
XLogP3.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.71
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
CID 3894786
N-(2,3-dichlorophenyl)-2-(4-iodophenoxy)acetamide
CID 55325965
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 17177111
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide
CID 1252873
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 1078563
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 30461638
N-(2-chlorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491403
N-(3-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylacetamide
CID 18141754
7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride
CID 119840505
4-amino-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methoxybutanamide;dihydrochloride
CID 120595047
N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide
CID 41270735

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide (CID 55507135) is N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide is O=C(COc1ccc(I)cc1)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide?
The InChIKey is IQDKIANQZBZWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClIN2O3/c19-15-2-1-3-16(18(15)22-8-10-24-11-9-22)21-17(23)12-25-14-6-4-13(20)5-7-14/h1-7H,8-12H2,(H,21,23).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide has a molecular weight of 472.71 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 55507135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).