2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide

C16H15Br2NO2 — CID 103885259

IUPAC2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-10(2)21-15-6-4-3-5-14(15)19-16(20)12-8-7-11(17)9-13(12)18/h3-10H,1-2H3,(H,19,20)
InChIKeyDUWQVFXDQCKPJL-UHFFFAOYSA-N
MW413.11 g/mol
LogP5.25
Rot. Bonds4

About 2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide

2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide (PubChem CID 103885259) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide
PubChem CID103885259
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-10(2)21-15-6-4-3-5-14(15)19-16(20)12-8-7-11(17)9-13(12)18/h3-10H,1-2H3,(H,19,20)
InChIKeyDUWQVFXDQCKPJL-UHFFFAOYSA-N
XLogP5.25
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 ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103752407
4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 39498025
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016
2,5-dimethyl-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide
CID 39000210
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid
CID 107937906
5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 54784461
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006
2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150872
1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992103

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide (CID 103885259) is 2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccccc1NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide?
The InChIKey is DUWQVFXDQCKPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-10(2)21-15-6-4-3-5-14(15)19-16(20)12-8-7-11(17)9-13(12)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide?
2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide has a molecular weight of 413.11 g/mol, XLogP of 5.25, 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-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 103885259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).