N-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide

C15H13Br2NO2 — CID 122400906

IUPACN-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide
SMILESCC(=O)NC(c1cc(Br)ccc1O)c1ccccc1Br
InChIInChI=1S/C15H13Br2NO2/c1-9(19)18-15(11-4-2-3-5-13(11)17)12-8-10(16)6-7-14(12)20/h2-8,15,20H,1H3,(H,18,19)
InChIKeyMPTMMJDZFBHBOA-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.14
Rot. Bonds3

About N-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide

N-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide (PubChem CID 122400906) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide
PubChem CID122400906
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide
SMILESCC(=O)NC(c1cc(Br)ccc1O)c1ccccc1Br
InChIInChI=1S/C15H13Br2NO2/c1-9(19)18-15(11-4-2-3-5-13(11)17)12-8-10(16)6-7-14(12)20/h2-8,15,20H,1H3,(H,18,19)
InChIKeyMPTMMJDZFBHBOA-UHFFFAOYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide (CID 122400906) is N-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide is CC(=O)NC(c1cc(Br)ccc1O)c1ccccc1Br.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide?
The InChIKey is MPTMMJDZFBHBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-9(19)18-15(11-4-2-3-5-13(11)17)12-8-10(16)6-7-14(12)20/h2-8,15,20H,1H3,(H,18,19).
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide?
N-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide has a molecular weight of 399.08 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxyphenyl)-(2-bromophenyl)methyl]acetamide is sourced from PubChem (CID 122400906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).