N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide

C16H15Br2NO3 — CID 5119029

IUPACN-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C16H15Br2NO3/c1-9(2)22-12-5-3-10(4-6-12)16(21)19-11-7-13(17)15(20)14(18)8-11/h3-9,20H,1-2H3,(H,19,21)
InChIKeyJFTLTVVUVIHQOS-UHFFFAOYSA-N
MW429.11 g/mol
LogP4.96
Rot. Bonds4

About N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide

N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide (PubChem CID 5119029) has the molecular formula C16H15Br2NO3 and a molecular weight of 429.11 g/mol. Its IUPAC name is N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide
PubChem CID5119029
Molecular FormulaC16H15Br2NO3
Molecular Weight429.11 g/mol
Exact Mass426.94
IUPAC NameN-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C16H15Br2NO3/c1-9(2)22-12-5-3-10(4-6-12)16(21)19-11-7-13(17)15(20)14(18)8-11/h3-9,20H,1-2H3,(H,19,21)
InChIKeyJFTLTVVUVIHQOS-UHFFFAOYSA-N
XLogP4.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.11
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340213
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
N-naphthalen-2-yl-4-propan-2-yloxybenzamide
CID 823400
4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
CID 54791087
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
CID 25222880
N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17172041
N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
CID 100803572
N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 7778576
N-(2-hydroxy-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 27681755

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide (CID 5119029) is N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1.
What is the InChIKey of N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide?
The InChIKey is JFTLTVVUVIHQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO3/c1-9(2)22-12-5-3-10(4-6-12)16(21)19-11-7-13(17)15(20)14(18)8-11/h3-9,20H,1-2H3,(H,19,21).
What are the key properties of N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide?
N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide has a molecular weight of 429.11 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 5119029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).