N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide

C14H6BrClF2N2O — CID 104880416

IUPACN-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H6BrClF2N2O/c15-8-2-1-7(6-19)13(3-8)20-14(21)9-4-12(18)10(16)5-11(9)17/h1-5H,(H,20,21)
InChIKeyRJMIKUTZZCPZBE-UHFFFAOYSA-N
MW371.57 g/mol
LogP4.50
Rot. Bonds2

About N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide

N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide (PubChem CID 104880416) has the molecular formula C14H6BrClF2N2O and a molecular weight of 371.57 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide
PubChem CID104880416
Molecular FormulaC14H6BrClF2N2O
Molecular Weight371.57 g/mol
Exact Mass369.93
IUPAC NameN-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H6BrClF2N2O/c15-8-2-1-7(6-19)13(3-8)20-14(21)9-4-12(18)10(16)5-11(9)17/h1-5H,(H,20,21)
InChIKeyRJMIKUTZZCPZBE-UHFFFAOYSA-N
XLogP4.50
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
4-amino-N-(5-bromo-2-cyanophenyl)-2-chlorobenzamide
CID 107796924
N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide
CID 107801633
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179
N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
CID 107801239
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244
N-(5-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzamide
CID 104880310
N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide
CID 107470730
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
CID 107796977
4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide
CID 107796954

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide (CID 104880416) is N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide is N#Cc1ccc(Br)cc1NC(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide?
The InChIKey is RJMIKUTZZCPZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrClF2N2O/c15-8-2-1-7(6-19)13(3-8)20-14(21)9-4-12(18)10(16)5-11(9)17/h1-5H,(H,20,21).
What are the key properties of N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide?
N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide has a molecular weight of 371.57 g/mol, XLogP of 4.50, 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)-4-chloro-2,5-difluorobenzamide is sourced from PubChem (CID 104880416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).