3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide

C14H7BrClFN2O — CID 64919189

IUPAC3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H7BrClFN2O/c15-10-3-9(4-12(17)5-10)14(20)19-13-6-11(16)2-1-8(13)7-18/h1-6H,(H,19,20)
InChIKeyLHBRHPZYBDCKRI-UHFFFAOYSA-N
MW353.58 g/mol
LogP4.37
Rot. Bonds2

About 3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide

3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide (PubChem CID 64919189) has the molecular formula C14H7BrClFN2O and a molecular weight of 353.58 g/mol. Its IUPAC name is 3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide
PubChem CID64919189
Molecular FormulaC14H7BrClFN2O
Molecular Weight353.58 g/mol
Exact Mass351.94
IUPAC Name3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H7BrClFN2O/c15-10-3-9(4-12(17)5-10)14(20)19-13-6-11(16)2-1-8(13)7-18/h1-6H,(H,19,20)
InChIKeyLHBRHPZYBDCKRI-UHFFFAOYSA-N
XLogP4.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 107938866
N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
CID 60628744
N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide
CID 65098727
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
N-(2-amino-4-cyanophenyl)-3-bromo-5-fluorobenzamide
CID 78965489
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103826905
N-(2-bromo-5-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112701714
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
CID 60628665
N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide
CID 104880416

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide (CID 64919189) is 3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide is N#Cc1ccc(Cl)cc1NC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide?
The InChIKey is LHBRHPZYBDCKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClFN2O/c15-10-3-9(4-12(17)5-10)14(20)19-13-6-11(16)2-1-8(13)7-18/h1-6H,(H,19,20).
What are the key properties of 3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide?
3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide has a molecular weight of 353.58 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide is sourced from PubChem (CID 64919189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).