4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide

C14H8BrFN2O — CID 47421832

IUPAC4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C14H8BrFN2O/c15-12-5-4-10(7-13(12)16)14(19)18-11-3-1-2-9(6-11)8-17/h1-7H,(H,18,19)
InChIKeyICIXLZCXNKWUCY-UHFFFAOYSA-N
MW319.13 g/mol
LogP3.71
Rot. Bonds2

About 4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide

4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide (PubChem CID 47421832) has the molecular formula C14H8BrFN2O and a molecular weight of 319.13 g/mol. Its IUPAC name is 4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide
PubChem CID47421832
Molecular FormulaC14H8BrFN2O
Molecular Weight319.13 g/mol
Exact Mass317.98
IUPAC Name4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C14H8BrFN2O/c15-12-5-4-10(7-13(12)16)14(19)18-11-3-1-2-9(6-11)8-17/h1-7H,(H,18,19)
InChIKeyICIXLZCXNKWUCY-UHFFFAOYSA-N
XLogP3.71
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(3-cyanophenyl)-3-fluorobenzamide
CID 62678530
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
3-bromo-4-tert-butyl-N-(3-cyanophenyl)benzamide
CID 1014173
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
N-[3-(aminomethyl)phenyl]-4-bromo-3-fluorobenzamide
CID 63254166
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
2,5-dibromo-N-(3-cyanophenyl)benzamide
CID 114369410
N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide
CID 43090996
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide (CID 47421832) is 4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide is N#Cc1cccc(NC(=O)c2ccc(Br)c(F)c2)c1.
What is the InChIKey of 4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide?
The InChIKey is ICIXLZCXNKWUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O/c15-12-5-4-10(7-13(12)16)14(19)18-11-3-1-2-9(6-11)8-17/h1-7H,(H,18,19).
What are the key properties of 4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide?
4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide has a molecular weight of 319.13 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide is sourced from PubChem (CID 47421832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).