4-bromo-N-(5-bromo-2-cyanophenyl)benzamide

C14H8Br2N2O — CID 104880230

IUPAC4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H8Br2N2O/c15-11-4-1-9(2-5-11)14(19)18-13-7-12(16)6-3-10(13)8-17/h1-7H,(H,18,19)
InChIKeyBVWSEMRHDILLCM-UHFFFAOYSA-N
MW380.04 g/mol
LogP4.34
Rot. Bonds2

About 4-bromo-N-(5-bromo-2-cyanophenyl)benzamide

4-bromo-N-(5-bromo-2-cyanophenyl)benzamide (PubChem CID 104880230) has the molecular formula C14H8Br2N2O and a molecular weight of 380.04 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-2-cyanophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
PubChem CID104880230
Molecular FormulaC14H8Br2N2O
Molecular Weight380.04 g/mol
Exact Mass377.90
IUPAC Name4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H8Br2N2O/c15-11-4-1-9(2-5-11)14(19)18-13-7-12(16)6-3-10(13)8-17/h1-7H,(H,18,19)
InChIKeyBVWSEMRHDILLCM-UHFFFAOYSA-N
XLogP4.34
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.04
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-cyanophenyl)-4-methylsulfanylbenzamide
CID 104880146
3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 107796982
4-amino-N-(5-bromo-2-cyanophenyl)-3-methylbenzamide
CID 107796910
N-(5-bromo-2-cyanophenyl)-3-hydroxybenzamide
CID 107798309
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
CID 107796977
4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide
CID 107796954
N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide
CID 104880206
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107800302

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-2-cyanophenyl)benzamide?
The IUPAC name of 4-bromo-N-(5-bromo-2-cyanophenyl)benzamide (CID 104880230) is 4-bromo-N-(5-bromo-2-cyanophenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-2-cyanophenyl)benzamide?
The canonical SMILES for 4-bromo-N-(5-bromo-2-cyanophenyl)benzamide is N#Cc1ccc(Br)cc1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-bromo-2-cyanophenyl)benzamide?
The InChIKey is BVWSEMRHDILLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2O/c15-11-4-1-9(2-5-11)14(19)18-13-7-12(16)6-3-10(13)8-17/h1-7H,(H,18,19).
What are the key properties of 4-bromo-N-(5-bromo-2-cyanophenyl)benzamide?
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide has a molecular weight of 380.04 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-2-cyanophenyl)benzamide is sourced from PubChem (CID 104880230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).