2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide

C16H14BrN3O — CID 107798189

IUPAC2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)Cc1ccccc1CN
InChIInChI=1S/C16H14BrN3O/c17-14-6-5-13(10-19)15(8-14)20-16(21)7-11-3-1-2-4-12(11)9-18/h1-6,8H,7,9,18H2,(H,20,21)
InChIKeyHCJVKEGDODDZNX-UHFFFAOYSA-N
MW344.21 g/mol
LogP2.96
Rot. Bonds4

About 2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide (PubChem CID 107798189) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
PubChem CID107798189
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)Cc1ccccc1CN
InChIInChI=1S/C16H14BrN3O/c17-14-6-5-13(10-19)15(8-14)20-16(21)7-11-3-1-2-4-12(11)9-18/h1-6,8H,7,9,18H2,(H,20,21)
InChIKeyHCJVKEGDODDZNX-UHFFFAOYSA-N
XLogP2.96
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
CID 81313356
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide
CID 104880239
N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide
CID 104880434
N-(5-bromo-2-cyanophenyl)-2-(2,4-difluorophenyl)acetamide
CID 104880226
N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
CID 104880168
N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 104880469
3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide
CID 107798264
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
CID 104880341
2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide
CID 81311876
2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide
CID 107808029
2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798155

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide (CID 107798189) is 2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide is N#Cc1ccc(Br)cc1NC(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide?
The InChIKey is HCJVKEGDODDZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-14-6-5-13(10-19)15(8-14)20-16(21)7-11-3-1-2-4-12(11)9-18/h1-6,8H,7,9,18H2,(H,20,21).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide has a molecular weight of 344.21 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide is sourced from PubChem (CID 107798189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).