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

C21H23BrN2O3 — CID 4932497

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)c(Br)c1
InChIInChI=1S/C21H23BrN2O3/c1-2-15-9-10-19(17(22)13-15)27-14-20(25)23-18-8-4-3-7-16(18)21(26)24-11-5-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,25)
InChIKeyPTOCMTCOSYEMAG-UHFFFAOYSA-N
MW431.33 g/mol
LogP4.26
Rot. Bonds6

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

2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 4932497) has the molecular formula C21H23BrN2O3 and a molecular weight of 431.33 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID4932497
Molecular FormulaC21H23BrN2O3
Molecular Weight431.33 g/mol
Exact Mass430.09
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)c(Br)c1
InChIInChI=1S/C21H23BrN2O3/c1-2-15-9-10-19(17(22)13-15)27-14-20(25)23-18-8-4-3-7-16(18)21(26)24-11-5-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,25)
InChIKeyPTOCMTCOSYEMAG-UHFFFAOYSA-N
XLogP4.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4937939
2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17188921
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
CID 4629077
2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17051639
2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939411
2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17188929
2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]benzoic acid
CID 53264106
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-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929765
2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4960724
2-(2-bromo-4-phenylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 4960710

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 4932497) is 2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is PTOCMTCOSYEMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O3/c1-2-15-9-10-19(17(22)13-15)27-14-20(25)23-18-8-4-3-7-16(18)21(26)24-11-5-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,25).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 431.33 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 4932497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).