2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C22H25BrN2O3 — CID 28637432

IUPAC2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C22H25BrN2O3/c1-15-8-10-25(11-9-15)22(27)17-4-3-5-19(13-17)24-21(26)14-28-20-7-6-18(23)12-16(20)2/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,24,26)
InChIKeyXCYWDOKFMDBDBJ-UHFFFAOYSA-N
MW445.36 g/mol
LogP4.65
Rot. Bonds5

About 2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 28637432) has the molecular formula C22H25BrN2O3 and a molecular weight of 445.36 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID28637432
Molecular FormulaC22H25BrN2O3
Molecular Weight445.36 g/mol
Exact Mass444.10
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C22H25BrN2O3/c1-15-8-10-25(11-9-15)22(27)17-4-3-5-19(13-17)24-21(26)14-28-20-7-6-18(23)12-16(20)2/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,24,26)
InChIKeyXCYWDOKFMDBDBJ-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-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 28637403
2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 28637588
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 26161547
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54840399
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
2-(2-bromoanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54816568
N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide
CID 28638819
2-(4-bromophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179624
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-naphthalen-2-ylacetamide
CID 54843036

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 28637432) is 2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is Cc1cc(Br)ccc1OCC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is XCYWDOKFMDBDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O3/c1-15-8-10-25(11-9-15)22(27)17-4-3-5-19(13-17)24-21(26)14-28-20-7-6-18(23)12-16(20)2/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-(4-bromo-2-methylphenoxy)-N-[3-(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-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 28637432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).