N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide

C14H9Br2N3O — CID 114367683

IUPACN-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
SMILESN#Cc1cc(N)ccc1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H9Br2N3O/c15-9-1-3-12(16)11(6-9)14(20)19-13-4-2-10(18)5-8(13)7-17/h1-6H,18H2,(H,19,20)
InChIKeyUFIUSRAPTCHVEF-UHFFFAOYSA-N
MW395.05 g/mol
LogP3.92
Rot. Bonds2

About N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide

N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide (PubChem CID 114367683) has the molecular formula C14H9Br2N3O and a molecular weight of 395.05 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
PubChem CID114367683
Molecular FormulaC14H9Br2N3O
Molecular Weight395.05 g/mol
Exact Mass392.91
IUPAC NameN-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
SMILESN#Cc1cc(N)ccc1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H9Br2N3O/c15-9-1-3-12(16)11(6-9)14(20)19-13-4-2-10(18)5-8(13)7-17/h1-6H,18H2,(H,19,20)
InChIKeyUFIUSRAPTCHVEF-UHFFFAOYSA-N
XLogP3.92
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 53.92
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

2,4-diamino-N-(4-bromo-2-cyanophenyl)benzamide
CID 82702808
2-bromo-N-(4-bromo-2-cyanophenyl)-5-sulfanylbenzamide
CID 107033611
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 107185689
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733
N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide
CID 107986297
2-amino-5-bromo-N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82703881
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
4-amino-N-(5-bromo-2-cyanophenyl)-2-chlorobenzamide
CID 107796924
N-(5-amino-2-chlorophenyl)-2,5-dibromobenzamide
CID 114367682
4-bromo-N-(4-bromo-2-cyanophenyl)-2-sulfanylbenzamide
CID 107033617
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide (CID 114367683) is N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide is N#Cc1cc(N)ccc1NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide?
The InChIKey is UFIUSRAPTCHVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O/c15-9-1-3-12(16)11(6-9)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)-2,5-dibromobenzamide?
N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide has a molecular weight of 395.05 g/mol, XLogP of 3.92, 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)-2,5-dibromobenzamide is sourced from PubChem (CID 114367683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).