3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide

C14H7Br2ClN2O — CID 103841848

IUPAC3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)c(Br)c1
InChIInChI=1S/C14H7Br2ClN2O/c15-10-6-9(2-3-12(10)17)14(20)19-13-4-1-8(7-18)5-11(13)16/h1-6H,(H,19,20)
InChIKeyXKKKSTZJOBFLEA-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.99
Rot. Bonds2

About 3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide

3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide (PubChem CID 103841848) has the molecular formula C14H7Br2ClN2O and a molecular weight of 414.48 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
PubChem CID103841848
Molecular FormulaC14H7Br2ClN2O
Molecular Weight414.48 g/mol
Exact Mass411.86
IUPAC Name3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)c(Br)c1
InChIInChI=1S/C14H7Br2ClN2O/c15-10-6-9(2-3-12(10)17)14(20)19-13-4-1-8(7-18)5-11(13)16/h1-6H,(H,19,20)
InChIKeyXKKKSTZJOBFLEA-UHFFFAOYSA-N
XLogP4.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-cyanophenyl)-3-chloro-4-hydroxybenzamide
CID 107791108
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CID 103998397
N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide
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N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide
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3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide
CID 104852225
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
CID 107796812
N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide
CID 107948846
N-(2-bromo-4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107793977
N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide
CID 104578908
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide?
The IUPAC name of 3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide (CID 103841848) is 3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide is N#Cc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide?
The InChIKey is XKKKSTZJOBFLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2ClN2O/c15-10-6-9(2-3-12(10)17)14(20)19-13-4-1-8(7-18)5-11(13)16/h1-6H,(H,19,20).
What are the key properties of 3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide?
3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide has a molecular weight of 414.48 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide is sourced from PubChem (CID 103841848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).