5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide

C14H8BrCl2N3O — CID 107796812

IUPAC5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(N)cc(Cl)c2Cl)c(Br)c1
InChIInChI=1S/C14H8BrCl2N3O/c15-10-3-7(6-18)1-2-12(10)20-14(21)9-4-8(19)5-11(16)13(9)17/h1-5H,19H2,(H,20,21)
InChIKeyUJEAPUDIHUDZBY-UHFFFAOYSA-N
MW385.05 g/mol
LogP4.46
Rot. Bonds2

About 5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide

5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide (PubChem CID 107796812) has the molecular formula C14H8BrCl2N3O and a molecular weight of 385.05 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
PubChem CID107796812
Molecular FormulaC14H8BrCl2N3O
Molecular Weight385.05 g/mol
Exact Mass382.92
IUPAC Name5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(N)cc(Cl)c2Cl)c(Br)c1
InChIInChI=1S/C14H8BrCl2N3O/c15-10-3-7(6-18)1-2-12(10)20-14(21)9-4-8(19)5-11(16)13(9)17/h1-5H,19H2,(H,20,21)
InChIKeyUJEAPUDIHUDZBY-UHFFFAOYSA-N
XLogP4.46
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.05
LogP ≤ 54.46
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

5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
5-amino-N-(4-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 107185689
5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide
CID 107183181
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
CID 103841848
5-amino-N-(2-bromo-5-methylphenyl)-2,3-dichlorobenzamide
CID 107185700
2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide
CID 107793711
N-(2-bromo-4-cyanophenyl)-3-chloro-4-hydroxybenzamide
CID 107791108
N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide
CID 113231347
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873
3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide
CID 114002425

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide?
The IUPAC name of 5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide (CID 107796812) is 5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide.
What is the SMILES notation for 5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide?
The canonical SMILES for 5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide is N#Cc1ccc(NC(=O)c2cc(N)cc(Cl)c2Cl)c(Br)c1.
What is the InChIKey of 5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide?
The InChIKey is UJEAPUDIHUDZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2N3O/c15-10-3-7(6-18)1-2-12(10)20-14(21)9-4-8(19)5-11(16)13(9)17/h1-5H,19H2,(H,20,21).
What are the key properties of 5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide?
5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide has a molecular weight of 385.05 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide is sourced from PubChem (CID 107796812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).