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

C19H21ClN2O3 — CID 1114490

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-14-2-5-16(6-3-14)25-13-19(23)21-15-4-7-18(17(20)12-15)22-8-10-24-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyZDEMFEKMFFJUEK-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.50
Rot. Bonds5

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

N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide (PubChem CID 1114490) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
PubChem CID1114490
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-14-2-5-16(6-3-14)25-13-19(23)21-15-4-7-18(17(20)12-15)22-8-10-24-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,23)
InChIKeyZDEMFEKMFFJUEK-UHFFFAOYSA-N
XLogP3.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 17220794
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide
CID 19631195
2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127189
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methylphenoxy)acetamide
CID 17111823
methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328431
2-[2-chloro-4-[(3-chloro-4-morpholin-4-ylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539332
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 28688998
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide
CID 17220799
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
CID 1048171
2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127202
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 3944463
2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
CID 110400419

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide (CID 1114490) is N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is ZDEMFEKMFFJUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-14-2-5-16(6-3-14)25-13-19(23)21-15-4-7-18(17(20)12-15)22-8-10-24-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 360.84 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 1114490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).