2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide

C16H15Br2NO2 — CID 103885271

IUPAC2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide
SMILESCCOc1cc(C)ccc1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-3-21-15-8-10(2)4-7-14(15)19-16(20)12-6-5-11(17)9-13(12)18/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyXMFDMIMWWXOXJH-UHFFFAOYSA-N
MW413.11 g/mol
LogP5.17
Rot. Bonds4

About 2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide

2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide (PubChem CID 103885271) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide
PubChem CID103885271
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide
SMILESCCOc1cc(C)ccc1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-3-21-15-8-10(2)4-7-14(15)19-16(20)12-6-5-11(17)9-13(12)18/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyXMFDMIMWWXOXJH-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.11
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-ethoxy-4-methylphenyl)benzamide
CID 60933793
2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide
CID 103754685
2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide
CID 103882118
N-(2,4-dibromophenyl)-2-ethoxybenzamide
CID 3649234
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide
CID 112846294
2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide
CID 61104309
5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide
CID 65311452
5-bromo-2-chloro-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 60794303
4-bromo-N-(2-ethoxy-5-methylphenyl)benzamide
CID 868412
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide (CID 103885271) is 2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide is CCOc1cc(C)ccc1NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide?
The InChIKey is XMFDMIMWWXOXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-3-21-15-8-10(2)4-7-14(15)19-16(20)12-6-5-11(17)9-13(12)18/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide?
2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide has a molecular weight of 413.11 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide is sourced from PubChem (CID 103885271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).