2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide

C16H15Br2NO2 — CID 114370108

IUPAC2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C16H15Br2NO2/c1-10(2)21-13-6-4-12(5-7-13)19-16(20)14-9-11(17)3-8-15(14)18/h3-10H,1-2H3,(H,19,20)
InChIKeyAQRSGOFDOSLBRE-UHFFFAOYSA-N
MW413.11 g/mol
LogP5.25
Rot. Bonds4

About 2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide

2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 114370108) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID114370108
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C16H15Br2NO2/c1-10(2)21-13-6-4-12(5-7-13)19-16(20)14-9-11(17)3-8-15(14)18/h3-10H,1-2H3,(H,19,20)
InChIKeyAQRSGOFDOSLBRE-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

2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide
CID 17051555
5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17046227
3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide
CID 103988657
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340213
2-amino-5-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 62510532
2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 103853348
2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55865424
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide (CID 114370108) is 2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1.
What is the InChIKey of 2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is AQRSGOFDOSLBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-10(2)21-13-6-4-12(5-7-13)19-16(20)14-9-11(17)3-8-15(14)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide?
2,5-dibromo-N-(4-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 2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 114370108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).