5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide

C15H9BrF2N2O — CID 63359561

IUPAC5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide
SMILESN#Cc1ccc(CNC(=O)c2cc(Br)ccc2F)c(F)c1
InChIInChI=1S/C15H9BrF2N2O/c16-11-3-4-13(17)12(6-11)15(21)20-8-10-2-1-9(7-19)5-14(10)18/h1-6H,8H2,(H,20,21)
InChIKeyYPYCKVZIDPSQIN-UHFFFAOYSA-N
MW351.15 g/mol
LogP3.53
Rot. Bonds3

About 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide

5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide (PubChem CID 63359561) has the molecular formula C15H9BrF2N2O and a molecular weight of 351.15 g/mol. Its IUPAC name is 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide
PubChem CID63359561
Molecular FormulaC15H9BrF2N2O
Molecular Weight351.15 g/mol
Exact Mass349.99
IUPAC Name5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide
SMILESN#Cc1ccc(CNC(=O)c2cc(Br)ccc2F)c(F)c1
InChIInChI=1S/C15H9BrF2N2O/c16-11-3-4-13(17)12(6-11)15(21)20-8-10-2-1-9(7-19)5-14(10)18/h1-6H,8H2,(H,20,21)
InChIKeyYPYCKVZIDPSQIN-UHFFFAOYSA-N
XLogP3.53
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359737
3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359606
2-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-5-methylbenzamide
CID 80999969
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 55190908
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
CID 114372185
2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359520
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
CID 63359701
N-[(4-cyano-2-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 63359657
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
CID 107233860
5-bromo-N-(4-cyanobutyl)-2-fluorobenzamide
CID 63284457

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide (CID 63359561) is 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide is N#Cc1ccc(CNC(=O)c2cc(Br)ccc2F)c(F)c1.
What is the InChIKey of 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide?
The InChIKey is YPYCKVZIDPSQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N2O/c16-11-3-4-13(17)12(6-11)15(21)20-8-10-2-1-9(7-19)5-14(10)18/h1-6H,8H2,(H,20,21).
What are the key properties of 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide?
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide has a molecular weight of 351.15 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 63359561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).