4-bromo-N-(3-bromophenyl)-3-chlorobenzamide

C13H8Br2ClNO — CID 81295310

IUPAC4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H8Br2ClNO/c14-9-2-1-3-10(7-9)17-13(18)8-4-5-11(15)12(16)6-8/h1-7H,(H,17,18)
InChIKeyABGGQLKTPRHWHL-UHFFFAOYSA-N
MW389.47 g/mol
LogP5.12
Rot. Bonds2

About 4-bromo-N-(3-bromophenyl)-3-chlorobenzamide

4-bromo-N-(3-bromophenyl)-3-chlorobenzamide (PubChem CID 81295310) has the molecular formula C13H8Br2ClNO and a molecular weight of 389.47 g/mol. Its IUPAC name is 4-bromo-N-(3-bromophenyl)-3-chlorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
PubChem CID81295310
Molecular FormulaC13H8Br2ClNO
Molecular Weight389.47 g/mol
Exact Mass386.87
IUPAC Name4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H8Br2ClNO/c14-9-2-1-3-10(7-9)17-13(18)8-4-5-11(15)12(16)6-8/h1-7H,(H,17,18)
InChIKeyABGGQLKTPRHWHL-UHFFFAOYSA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-bromophenyl)-3-chlorobenzamide?
The IUPAC name of 4-bromo-N-(3-bromophenyl)-3-chlorobenzamide (CID 81295310) is 4-bromo-N-(3-bromophenyl)-3-chlorobenzamide.
What is the SMILES notation for 4-bromo-N-(3-bromophenyl)-3-chlorobenzamide?
The canonical SMILES for 4-bromo-N-(3-bromophenyl)-3-chlorobenzamide is O=C(Nc1cccc(Br)c1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-N-(3-bromophenyl)-3-chlorobenzamide?
The InChIKey is ABGGQLKTPRHWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClNO/c14-9-2-1-3-10(7-9)17-13(18)8-4-5-11(15)12(16)6-8/h1-7H,(H,17,18).
What are the key properties of 4-bromo-N-(3-bromophenyl)-3-chlorobenzamide?
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide has a molecular weight of 389.47 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-bromophenyl)-3-chlorobenzamide is sourced from PubChem (CID 81295310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).