N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide

C15H13Br2NO2 — CID 112977351

IUPACN-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C15H13Br2NO2/c1-10-2-5-12(8-14(10)17)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJOULSWJKLIDRSZ-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.54
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide

N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide (PubChem CID 112977351) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
PubChem CID112977351
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C15H13Br2NO2/c1-10-2-5-12(8-14(10)17)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJOULSWJKLIDRSZ-UHFFFAOYSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide
CID 7818077
N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 54777061
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7845035
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 4944441
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide (CID 112977351) is N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide is Cc1ccc(NC(=O)COc2ccc(Br)cc2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide?
The InChIKey is JOULSWJKLIDRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-10-2-5-12(8-14(10)17)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide?
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide has a molecular weight of 399.08 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 112977351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).