N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide

C14H9BrClN3O — CID 107986297

IUPACN-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide
SMILESN#Cc1cc(N)ccc1NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H9BrClN3O/c15-12-6-9(16)1-3-11(12)14(20)19-13-4-2-10(18)5-8(13)7-17/h1-6H,18H2,(H,19,20)
InChIKeyMGLYSCKNPWNEOP-UHFFFAOYSA-N
MW350.60 g/mol
LogP3.81
Rot. Bonds2

About N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide

N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide (PubChem CID 107986297) has the molecular formula C14H9BrClN3O and a molecular weight of 350.60 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide
PubChem CID107986297
Molecular FormulaC14H9BrClN3O
Molecular Weight350.60 g/mol
Exact Mass348.96
IUPAC NameN-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide
SMILESN#Cc1cc(N)ccc1NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H9BrClN3O/c15-12-6-9(16)1-3-11(12)14(20)19-13-4-2-10(18)5-8(13)7-17/h1-6H,18H2,(H,19,20)
InChIKeyMGLYSCKNPWNEOP-UHFFFAOYSA-N
XLogP3.81
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 53.81
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

N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide
CID 43548896
N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
CID 114367683
2,4-diamino-N-(4-bromo-2-cyanophenyl)benzamide
CID 82702808
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
4-amino-N-(5-bromo-2-cyanophenyl)-2-chlorobenzamide
CID 107796924
2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 103739886
2-bromo-4-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 103763591
2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
1-(4-amino-2-cyanophenyl)-3-(3,5-dichlorophenyl)urea
CID 107652968
N-(4-amino-2-cyanophenyl)-4,5-dibromothiophene-2-carboxamide
CID 80537159
5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 107185689
2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide
CID 114024506

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide (CID 107986297) is N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide is N#Cc1cc(N)ccc1NC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide?
The InChIKey is MGLYSCKNPWNEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O/c15-12-6-9(16)1-3-11(12)14(20)19-13-4-2-10(18)5-8(13)7-17/h1-6H,18H2,(H,19,20).
What are the key properties of N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide?
N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide has a molecular weight of 350.60 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide is sourced from PubChem (CID 107986297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).