2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide

C17H19BrN2O2 — CID 60616135

IUPAC2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
SMILESCCCOc1ncccc1CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-2-9-22-17-14(6-4-8-19-17)12-20-16(21)11-13-5-3-7-15(18)10-13/h3-8,10H,2,9,11-12H2,1H3,(H,20,21)
InChIKeyPXAWAEBBRGZHBV-UHFFFAOYSA-N
MW363.25 g/mol
LogP3.49
Rot. Bonds7

About 2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide

2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide (PubChem CID 60616135) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
PubChem CID60616135
Molecular FormulaC17H19BrN2O2
Molecular Weight363.25 g/mol
Exact Mass362.06
IUPAC Name2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
SMILESCCCOc1ncccc1CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-2-9-22-17-14(6-4-8-19-17)12-20-16(21)11-13-5-3-7-15(18)10-13/h3-8,10H,2,9,11-12H2,1H3,(H,20,21)
InChIKeyPXAWAEBBRGZHBV-UHFFFAOYSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]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

3-(3-fluorophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]propanamide
CID 60589527
N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831306
N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52760208
2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
CID 71844910
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 111900879
2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105079137
2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485449
2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 55774453
1-benzyl-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 110952639
2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 38537714

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide (CID 60616135) is 2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide is CCCOc1ncccc1CNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is PXAWAEBBRGZHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-2-9-22-17-14(6-4-8-19-17)12-20-16(21)11-13-5-3-7-15(18)10-13/h3-8,10H,2,9,11-12H2,1H3,(H,20,21).
What are the key properties of 2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide?
2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 363.25 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 60616135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).