2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide

C15H12BrN3O2 — CID 107798157

IUPAC2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Br)ccc2C#N)c(N)c1
InChIInChI=1S/C15H12BrN3O2/c1-21-11-4-5-12(13(18)7-11)15(20)19-14-6-10(16)3-2-9(14)8-17/h2-7H,18H2,1H3,(H,19,20)
InChIKeyUIIGKRSKBPTTHU-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.16
Rot. Bonds3

About 2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide

2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide (PubChem CID 107798157) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide
PubChem CID107798157
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Br)ccc2C#N)c(N)c1
InChIInChI=1S/C15H12BrN3O2/c1-21-11-4-5-12(13(18)7-11)15(20)19-14-6-10(16)3-2-9(14)8-17/h2-7H,18H2,1H3,(H,19,20)
InChIKeyUIIGKRSKBPTTHU-UHFFFAOYSA-N
XLogP3.16
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-cyanophenyl)-2-hydroxy-4-methoxybenzamide
CID 104880346
2-amino-N-(2,5-dibromophenyl)-4-methoxybenzamide
CID 115412703
2-amino-N-(5-bromo-2-cyanophenyl)-6-methoxybenzamide
CID 107796967
2,4-diamino-N-(4-bromo-2-cyanophenyl)benzamide
CID 82702808
4-amino-N-(5-bromo-2-cyanophenyl)-3-methylbenzamide
CID 107796910
4-amino-N-(5-bromo-2-cyanophenyl)-2-chlorobenzamide
CID 107796924
N-(5-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzamide
CID 104880310
N-(5-bromo-2-cyanophenyl)-3-methoxy-4-methylbenzamide
CID 104880206
N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide
CID 107729175
3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 107796982
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide (CID 107798157) is 2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(Br)ccc2C#N)c(N)c1.
What is the InChIKey of 2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide?
The InChIKey is UIIGKRSKBPTTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-21-11-4-5-12(13(18)7-11)15(20)19-14-6-10(16)3-2-9(14)8-17/h2-7H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide?
2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide has a molecular weight of 346.18 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-cyanophenyl)-4-methoxybenzamide is sourced from PubChem (CID 107798157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).