2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide

C12H16BrClN2O2 — CID 55131664

IUPAC2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1cc(Br)ccc1Cl
InChIInChI=1S/C12H16BrClN2O2/c1-18-6-2-5-15-12(17)8-16-11-7-9(13)3-4-10(11)14/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyCLKJXNRLBNPAII-UHFFFAOYSA-N
MW335.63 g/mol
LogP2.67
Rot. Bonds7

About 2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide

2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 55131664) has the molecular formula C12H16BrClN2O2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide
PubChem CID55131664
Molecular FormulaC12H16BrClN2O2
Molecular Weight335.63 g/mol
Exact Mass334.01
IUPAC Name2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1cc(Br)ccc1Cl
InChIInChI=1S/C12H16BrClN2O2/c1-18-6-2-5-15-12(17)8-16-11-7-9(13)3-4-10(11)14/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyCLKJXNRLBNPAII-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 103478891
N-[4-chloro-3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]butanamide
CID 54831420
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 55132443
2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
CID 60652992
N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide
CID 61486510
2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
CID 39353588
2-(2,4-dibromo-5-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 103412672
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 61487652
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
CID 107611425
methyl 4-chloro-3-[[3-(3-methoxypropylamino)-3-oxopropyl]amino]benzoate
CID 109015451
2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 54819347
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide (CID 55131664) is 2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNc1cc(Br)ccc1Cl.
What is the InChIKey of 2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is CLKJXNRLBNPAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2/c1-18-6-2-5-15-12(17)8-16-11-7-9(13)3-4-10(11)14/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17).
What are the key properties of 2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide?
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide has a molecular weight of 335.63 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 55131664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).