2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C22H25BrN2O3 — CID 17188921

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C22H25BrN2O3/c1-15(2)18-13-16(23)9-10-20(18)28-14-21(26)24-19-8-4-3-7-17(19)22(27)25-11-5-6-12-25/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3,(H,24,26)
InChIKeyGIGFJSFAZWRPDW-UHFFFAOYSA-N
MW445.36 g/mol
LogP4.83
Rot. Bonds6

About 2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 17188921) has the molecular formula C22H25BrN2O3 and a molecular weight of 445.36 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID17188921
Molecular FormulaC22H25BrN2O3
Molecular Weight445.36 g/mol
Exact Mass444.10
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C22H25BrN2O3/c1-15(2)18-13-16(23)9-10-20(18)28-14-21(26)24-19-8-4-3-7-17(19)22(27)25-11-5-6-12-25/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3,(H,24,26)
InChIKeyGIGFJSFAZWRPDW-UHFFFAOYSA-N
XLogP4.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17188929
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4937939
2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17188944
2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17051639
2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932497
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide
CID 17188911
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 55770978
2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 17188917
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4937891
2-(2-chloro-4-fluorophenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46419749
2-(4-bromo-2-propan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 19201398
2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17050670

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 17188921) is 2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is CC(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is GIGFJSFAZWRPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O3/c1-15(2)18-13-16(23)9-10-20(18)28-14-21(26)24-19-8-4-3-7-17(19)22(27)25-11-5-6-12-25/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 445.36 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 17188921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).