2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide

C16H15Br2NO2 — CID 103885573

IUPAC2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-10(12-5-3-4-6-15(12)20)19(2)16(21)13-8-7-11(17)9-14(13)18/h3-10,20H,1-2H3
InChIKeyCBOBSIJIXARGCR-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.75
Rot. Bonds3

About 2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide

2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 103885573) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
PubChem CID103885573
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-10(12-5-3-4-6-15(12)20)19(2)16(21)13-8-7-11(17)9-14(13)18/h3-10,20H,1-2H3
InChIKeyCBOBSIJIXARGCR-UHFFFAOYSA-N
XLogP4.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 107939270
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 106509859
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
N-[1-(3-aminophenyl)ethyl]-2,4-dibromo-N-methylbenzamide
CID 107937424
3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 63798305
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide
CID 61044662
5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913059
2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 103867282
3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide (CID 103885573) is 2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide is CC(c1ccccc1O)N(C)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is CBOBSIJIXARGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-10(12-5-3-4-6-15(12)20)19(2)16(21)13-8-7-11(17)9-14(13)18/h3-10,20H,1-2H3.
What are the key properties of 2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 413.11 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 103885573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).