N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide

C14H7BrCl2N2O — CID 104880179

IUPACN-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H7BrCl2N2O/c15-9-5-4-8(7-18)12(6-9)19-14(20)10-2-1-3-11(16)13(10)17/h1-6H,(H,19,20)
InChIKeyHORNRRCDAVGISN-UHFFFAOYSA-N
MW370.03 g/mol
LogP4.88
Rot. Bonds2

About N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide

N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide (PubChem CID 104880179) has the molecular formula C14H7BrCl2N2O and a molecular weight of 370.03 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
PubChem CID104880179
Molecular FormulaC14H7BrCl2N2O
Molecular Weight370.03 g/mol
Exact Mass367.91
IUPAC NameN-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H7BrCl2N2O/c15-9-5-4-8(7-18)12(6-9)19-14(20)10-2-1-3-11(16)13(10)17/h1-6H,(H,19,20)
InChIKeyHORNRRCDAVGISN-UHFFFAOYSA-N
XLogP4.88
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.03
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide
CID 107801633
4-amino-N-(5-bromo-2-cyanophenyl)-2-chlorobenzamide
CID 107796924
N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide
CID 104880416
N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
CID 104880168
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide
CID 104880187
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244
N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
CID 107801239
N-(5-bromo-2-cyanophenyl)-3-hydroxybenzamide
CID 107798309
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
CID 107796977

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide (CID 104880179) is N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide is N#Cc1ccc(Br)cc1NC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide?
The InChIKey is HORNRRCDAVGISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N2O/c15-9-5-4-8(7-18)12(6-9)19-14(20)10-2-1-3-11(16)13(10)17/h1-6H,(H,19,20).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide?
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide has a molecular weight of 370.03 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide is sourced from PubChem (CID 104880179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).