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

C19H21BrN2O3 — CID 17220794

IUPACN-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1
InChIInChI=1S/C19H21BrN2O3/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)
InChIKeyXDPRRBJMFMGOPM-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.61
Rot. Bonds5

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

N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide (PubChem CID 17220794) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
PubChem CID17220794
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC NameN-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1
InChIInChI=1S/C19H21BrN2O3/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)
InChIKeyXDPRRBJMFMGOPM-UHFFFAOYSA-N
XLogP3.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.61
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-bromophenoxy)acetamide
CID 17220799
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127189
2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
CID 110400419
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 28688998
methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328431
2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 126478908
2-(4-methoxyphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127200
ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328773
2-(4-methylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992749
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide
CID 19631195

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide (CID 17220794) is N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1.
What is the InChIKey of N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is XDPRRBJMFMGOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/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-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide?
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 405.29 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 17220794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).