2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide

C16H15Br2NO2 — CID 19202087

IUPAC2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(Br)c2)c(Br)c1
InChIInChI=1S/C16H15Br2NO2/c1-2-11-6-7-15(14(18)8-11)21-10-16(20)19-13-5-3-4-12(17)9-13/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyOPTXQQIPWNFBMQ-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.79
Rot. Bonds5

About 2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide

2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide (PubChem CID 19202087) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
PubChem CID19202087
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(Br)c2)c(Br)c1
InChIInChI=1S/C16H15Br2NO2/c1-2-11-6-7-15(14(18)8-11)21-10-16(20)19-13-5-3-4-12(17)9-13/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyOPTXQQIPWNFBMQ-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201785
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231336
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189191
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222658
methyl 3-bromo-4-[2-(3-bromoanilino)-2-oxoethoxy]benzoate
CID 36531528
2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086692
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
2-(2-bromo-4-ethylphenoxy)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 26157958
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17170552
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221948
N-[(3-acetylphenyl)carbamothioyl]-2-(2-bromo-4-ethylphenoxy)acetamide
CID 1015265
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide (CID 19202087) is 2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide is CCc1ccc(OCC(=O)Nc2cccc(Br)c2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide?
The InChIKey is OPTXQQIPWNFBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-2-11-6-7-15(14(18)8-11)21-10-16(20)19-13-5-3-4-12(17)9-13/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide?
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide has a molecular weight of 413.11 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 19202087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).