2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide

C15H14BrClN2O2 — CID 114318480

IUPAC2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide
SMILESNCc1c(Cl)cccc1OCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H14BrClN2O2/c16-10-3-1-4-11(7-10)19-15(20)9-21-14-6-2-5-13(17)12(14)8-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyGBAHMDMVUVQKHV-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.58
Rot. Bonds5

About 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide

2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide (PubChem CID 114318480) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide
PubChem CID114318480
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide
SMILESNCc1c(Cl)cccc1OCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H14BrClN2O2/c16-10-3-1-4-11(7-10)19-15(20)9-21-14-6-2-5-13(17)12(14)8-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyGBAHMDMVUVQKHV-UHFFFAOYSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)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)-6-chlorophenoxy]-N-(3-bromophenyl)acetamide
CID 115951921
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-(3-chlorophenyl)acetamide
CID 114320702
[2-(3-bromoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723782
N-(3-bromophenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178145
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide
CID 63598293
N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide (CID 114318480) is 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide is NCc1c(Cl)cccc1OCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide?
The InChIKey is GBAHMDMVUVQKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c16-10-3-1-4-11(7-10)19-15(20)9-21-14-6-2-5-13(17)12(14)8-18/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide?
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide has a molecular weight of 369.65 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 114318480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).