2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide

C18H21BrN2O2 — CID 8802905

IUPAC2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide
SMILESCN(CCCNC(=O)COc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C18H21BrN2O2/c1-21(16-8-3-2-4-9-16)12-6-11-20-18(22)14-23-17-10-5-7-15(19)13-17/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,22)
InChIKeyRSKDKNLQIQBZRG-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.47
Rot. Bonds8

About 2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide

2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide (PubChem CID 8802905) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide
PubChem CID8802905
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide
SMILESCN(CCCNC(=O)COc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C18H21BrN2O2/c1-21(16-8-3-2-4-9-16)12-6-11-20-18(22)14-23-17-10-5-7-15(19)13-17/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,22)
InChIKeyRSKDKNLQIQBZRG-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 9012111
2-(3-bromophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 8919159
2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502782
1-(3-bromophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543075
N-[2-[[2-(3-bromophenoxy)acetyl]amino]ethyl]-2-methylpropanamide
CID 30764659
N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide
CID 41306516
N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide
CID 4733113
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
2-(3-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7935362
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide (CID 8802905) is 2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide is CN(CCCNC(=O)COc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide?
The InChIKey is RSKDKNLQIQBZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-21(16-8-3-2-4-9-16)12-6-11-20-18(22)14-23-17-10-5-7-15(19)13-17/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,22).
What are the key properties of 2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide?
2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide has a molecular weight of 377.28 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide is sourced from PubChem (CID 8802905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).