N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide

C20H22BrN3O3 — CID 30490824

IUPACN-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2ccc(Br)cc2)c(N2CCOCC2)c1
InChIInChI=1S/C20H22BrN3O3/c1-14(25)22-17-6-7-18(19(13-17)24-8-10-27-11-9-24)23-20(26)12-15-2-4-16(21)5-3-15/h2-7,13H,8-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyXRHGVZVHCZVGAR-UHFFFAOYSA-N
MW432.32 g/mol
LogP3.43
Rot. Bonds5

About N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide

N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide (PubChem CID 30490824) has the molecular formula C20H22BrN3O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide
PubChem CID30490824
Molecular FormulaC20H22BrN3O3
Molecular Weight432.32 g/mol
Exact Mass431.08
IUPAC NameN-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2ccc(Br)cc2)c(N2CCOCC2)c1
InChIInChI=1S/C20H22BrN3O3/c1-14(25)22-17-6-7-18(19(13-17)24-8-10-27-11-9-24)23-20(26)12-15-2-4-16(21)5-3-15/h2-7,13H,8-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyXRHGVZVHCZVGAR-UHFFFAOYSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110627232
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
2-(4-bromophenyl)-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 19061673
2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 38172833
5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 60566996
N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide
CID 58789195
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
N-(5-acetyl-2-methylphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110425585
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(3-methoxyphenyl)acetamide
CID 55363801
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(2-bromophenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110425885

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide?
The IUPAC name of N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide (CID 30490824) is N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide is CC(=O)Nc1ccc(NC(=O)Cc2ccc(Br)cc2)c(N2CCOCC2)c1.
What is the InChIKey of N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide?
The InChIKey is XRHGVZVHCZVGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3/c1-14(25)22-17-6-7-18(19(13-17)24-8-10-27-11-9-24)23-20(26)12-15-2-4-16(21)5-3-15/h2-7,13H,8-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide?
N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide has a molecular weight of 432.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 30490824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).