N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide

C15H12BrN3O2 — CID 43376506

IUPACN-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2ccc(N)cc2Br)cc1
InChIInChI=1S/C15H12BrN3O2/c16-13-7-11(18)3-6-14(13)19-15(20)9-21-12-4-1-10(8-17)2-5-12/h1-7H,9,18H2,(H,19,20)
InChIKeyNCCCAIIAOXGEGT-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.92
Rot. Bonds4

About N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide

N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide (PubChem CID 43376506) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide
PubChem CID43376506
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC NameN-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2ccc(N)cc2Br)cc1
InChIInChI=1S/C15H12BrN3O2/c16-13-7-11(18)3-6-14(13)19-15(20)9-21-12-4-1-10(8-17)2-5-12/h1-7H,9,18H2,(H,19,20)
InChIKeyNCCCAIIAOXGEGT-UHFFFAOYSA-N
XLogP2.92
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.92
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-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 43376508
N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide
CID 43548948
N-(2-chloro-4-fluorophenyl)-2-(4-cyanophenoxy)acetamide
CID 7771641
N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
CID 29050645
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300
N-(2-bromo-4-methylphenyl)-2-(3-cyanophenoxy)acetamide
CID 2591410
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2350848
2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107608671
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide (CID 43376506) is N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide is N#Cc1ccc(OCC(=O)Nc2ccc(N)cc2Br)cc1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide?
The InChIKey is NCCCAIIAOXGEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c16-13-7-11(18)3-6-14(13)19-15(20)9-21-12-4-1-10(8-17)2-5-12/h1-7H,9,18H2,(H,19,20).
What are the key properties of N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide?
N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide has a molecular weight of 346.18 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 43376506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).