N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide

C14H9BrFN3O — CID 107948846

IUPACN-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(F)c(Br)c2)c(N)c1
InChIInChI=1S/C14H9BrFN3O/c15-10-6-9(2-3-11(10)16)14(20)19-13-4-1-8(7-17)5-12(13)18/h1-6H,18H2,(H,19,20)
InChIKeyLBJRQTRAKWXHCT-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.29
Rot. Bonds2

About N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide

N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide (PubChem CID 107948846) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide
PubChem CID107948846
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC NameN-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(F)c(Br)c2)c(N)c1
InChIInChI=1S/C14H9BrFN3O/c15-10-6-9(2-3-11(10)16)14(20)19-13-4-1-8(7-17)5-12(13)18/h1-6H,18H2,(H,19,20)
InChIKeyLBJRQTRAKWXHCT-UHFFFAOYSA-N
XLogP3.29
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104854951
N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 78965367
N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 81287674
N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide
CID 107971053
N-(2-amino-4-cyanophenyl)-3-bromo-5-fluorobenzamide
CID 78965489
N-(2-amino-4-cyanophenyl)-4-iodobenzamide
CID 78965375
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
N-(2-amino-4-cyanophenyl)-2-bromo-5-fluorobenzamide
CID 78965687
3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
CID 103841848
N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide
CID 103807594
3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
CID 107951894
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide (CID 107948846) is N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide is N#Cc1ccc(NC(=O)c2ccc(F)c(Br)c2)c(N)c1.
What is the InChIKey of N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide?
The InChIKey is LBJRQTRAKWXHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-10-6-9(2-3-11(10)16)14(20)19-13-4-1-8(7-17)5-12(13)18/h1-6H,18H2,(H,19,20).
What are the key properties of N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide?
N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide has a molecular weight of 334.15 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide is sourced from PubChem (CID 107948846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).