3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide

C14H10Br3NO2 — CID 27449

IUPAC3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide
SMILESO=C(NCc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H10Br3NO2/c15-9-3-1-8(2-4-9)7-18-14(20)11-5-10(16)6-12(17)13(11)19/h1-6,19H,7H2,(H,18,20)
InChIKeySHZKJIKDCJBWRD-UHFFFAOYSA-N
MW463.95 g/mol
LogP4.61
Rot. Bonds3

About 3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide

3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide (PubChem CID 27449) has the molecular formula C14H10Br3NO2 and a molecular weight of 463.95 g/mol. Its IUPAC name is 3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide
PubChem CID27449
Molecular FormulaC14H10Br3NO2
Molecular Weight463.95 g/mol
Exact Mass460.83
IUPAC Name3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide
SMILESO=C(NCc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H10Br3NO2/c15-9-3-1-8(2-4-9)7-18-14(20)11-5-10(16)6-12(17)13(11)19/h1-6,19H,7H2,(H,18,20)
InChIKeySHZKJIKDCJBWRD-UHFFFAOYSA-N
XLogP4.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.95
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide?
The IUPAC name of 3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide (CID 27449) is 3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide?
The canonical SMILES for 3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide is O=C(NCc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide?
The InChIKey is SHZKJIKDCJBWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3NO2/c15-9-3-1-8(2-4-9)7-18-14(20)11-5-10(16)6-12(17)13(11)19/h1-6,19H,7H2,(H,18,20).
What are the key properties of 3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide?
3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide has a molecular weight of 463.95 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(4-bromophenyl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 27449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).