2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide

C13H18Br2N2O3 — CID 103412672

IUPAC2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O3/c1-19-5-3-4-16-13(18)8-17-11-7-12(20-2)10(15)6-9(11)14/h6-7,17H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyHPLSZYJTXVMBCE-UHFFFAOYSA-N
MW410.11 g/mol
LogP2.78
Rot. Bonds8

About 2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide

2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 103412672) has the molecular formula C13H18Br2N2O3 and a molecular weight of 410.11 g/mol. Its IUPAC name is 2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide
PubChem CID103412672
Molecular FormulaC13H18Br2N2O3
Molecular Weight410.11 g/mol
Exact Mass407.97
IUPAC Name2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O3/c1-19-5-3-4-16-13(18)8-17-11-7-12(20-2)10(15)6-9(11)14/h6-7,17H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyHPLSZYJTXVMBCE-UHFFFAOYSA-N
XLogP2.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
CID 60652992
N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide
CID 103412671
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 55131664
3-(2,4-dibromo-5-methoxyanilino)-N-ethylpropanamide
CID 103412756
2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
CID 39353588
2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
CID 82757718
2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 54819347
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 103478891
2,4-dibromo-N-(2-bromoprop-2-enyl)-5-methoxyaniline
CID 103413053
2-(4-bromo-3-methoxyanilino)-N-butylacetamide
CID 79493403
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
CID 107611425
N-(3-methoxypropyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54811773

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide (CID 103412672) is 2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNc1cc(OC)c(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is HPLSZYJTXVMBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O3/c1-19-5-3-4-16-13(18)8-17-11-7-12(20-2)10(15)6-9(11)14/h6-7,17H,3-5,8H2,1-2H3,(H,16,18).
What are the key properties of 2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide?
2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide has a molecular weight of 410.11 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 103412672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).