N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide

C14H7BrF2N2O — CID 43090996

IUPACN-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2c(F)cc(F)cc2Br)c1
InChIInChI=1S/C14H7BrF2N2O/c15-11-5-10(16)6-12(17)13(11)19-14(20)9-3-1-2-8(4-9)7-18/h1-6H,(H,19,20)
InChIKeyPPCDBENAUYYQGE-UHFFFAOYSA-N
MW337.12 g/mol
LogP3.85
Rot. Bonds2

About N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide

N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide (PubChem CID 43090996) has the molecular formula C14H7BrF2N2O and a molecular weight of 337.12 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide
PubChem CID43090996
Molecular FormulaC14H7BrF2N2O
Molecular Weight337.12 g/mol
Exact Mass335.97
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2c(F)cc(F)cc2Br)c1
InChIInChI=1S/C14H7BrF2N2O/c15-11-5-10(16)6-12(17)13(11)19-14(20)9-3-1-2-8(4-9)7-18/h1-6H,(H,19,20)
InChIKeyPPCDBENAUYYQGE-UHFFFAOYSA-N
XLogP3.85
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.12
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4,6-difluorophenyl)-3-hydroxybenzamide
CID 43132174
3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 103600288
4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide
CID 47421832
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
3-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylbenzamide
CID 81471642
N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
CID 81271572
N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide
CID 102850915
N-(2-bromo-4,6-difluorophenyl)-2-chloropyridine-4-carboxamide
CID 43237002
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 82889682
3-[1-(2-bromo-4,6-difluoroanilino)ethyl]benzonitrile
CID 43775061

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide (CID 43090996) is N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2c(F)cc(F)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide?
The InChIKey is PPCDBENAUYYQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF2N2O/c15-11-5-10(16)6-12(17)13(11)19-14(20)9-3-1-2-8(4-9)7-18/h1-6H,(H,19,20).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide?
N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide has a molecular weight of 337.12 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide is sourced from PubChem (CID 43090996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).