2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C22H25BrN2O3 — CID 4939411

IUPAC2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C22H25BrN2O3/c1-15-9-11-25(12-10-15)22(27)17-5-3-4-6-19(17)24-21(26)14-28-20-8-7-16(2)13-18(20)23/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,26)
InChIKeyXKVYQOBWSRXDLW-UHFFFAOYSA-N
MW445.36 g/mol
LogP4.65
Rot. Bonds5

About 2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 4939411) has the molecular formula C22H25BrN2O3 and a molecular weight of 445.36 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID4939411
Molecular FormulaC22H25BrN2O3
Molecular Weight445.36 g/mol
Exact Mass444.10
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C22H25BrN2O3/c1-15-9-11-25(12-10-15)22(27)17-5-3-4-6-19(17)24-21(26)14-28-20-8-7-16(2)13-18(20)23/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,26)
InChIKeyXKVYQOBWSRXDLW-UHFFFAOYSA-N
XLogP4.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4960724
2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939349
2-(4-chloro-2-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939353
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939290
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939291
2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932497
2-(2-bromo-4-phenylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 4960710
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4937939
2-[[2-(2-bromo-4-methylphenoxy)acetyl]carbamothioylamino]benzamide
CID 3291331
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide
CID 24673628
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 4939411) is 2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is XKVYQOBWSRXDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O3/c1-15-9-11-25(12-10-15)22(27)17-5-3-4-6-19(17)24-21(26)14-28-20-8-7-16(2)13-18(20)23/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 445.36 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 4939411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).