2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide

C12H16BrClN2O2 — CID 119434089

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O2/c1-15-5-2-6-16-12(17)8-18-11-4-3-9(13)7-10(11)14/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyPAMDIJIJKSTZSS-UHFFFAOYSA-N
MW335.63 g/mol
LogP2.21
Rot. Bonds7

About 2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide (PubChem CID 119434089) has the molecular formula C12H16BrClN2O2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide
PubChem CID119434089
Molecular FormulaC12H16BrClN2O2
Molecular Weight335.63 g/mol
Exact Mass334.01
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O2/c1-15-5-2-6-16-12(17)8-18-11-4-3-9(13)7-10(11)14/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyPAMDIJIJKSTZSS-UHFFFAOYSA-N
XLogP2.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119429515
2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide
CID 4981184
2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide
CID 5210911
2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119394421
2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 43067442
2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914789
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9289898
2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1287772
2-[2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241786
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-methylurea
CID 108882470
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide (CID 119434089) is 2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide is CNCCCNC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide?
The InChIKey is PAMDIJIJKSTZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2/c1-15-5-2-6-16-12(17)8-18-11-4-3-9(13)7-10(11)14/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide has a molecular weight of 335.63 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide is sourced from PubChem (CID 119434089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).