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

C12H16BrClN2O2 — CID 103478891

IUPAC2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1cccc(Cl)c1Br
InChIInChI=1S/C12H16BrClN2O2/c1-18-7-3-6-15-11(17)8-16-10-5-2-4-9(14)12(10)13/h2,4-5,16H,3,6-8H2,1H3,(H,15,17)
InChIKeyBQNBCEXCINXWDW-UHFFFAOYSA-N
MW335.63 g/mol
LogP2.67
Rot. Bonds7

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

2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 103478891) has the molecular formula C12H16BrClN2O2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
PubChem CID103478891
Molecular FormulaC12H16BrClN2O2
Molecular Weight335.63 g/mol
Exact Mass334.01
IUPAC Name2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1cccc(Cl)c1Br
InChIInChI=1S/C12H16BrClN2O2/c1-18-7-3-6-15-11(17)8-16-10-5-2-4-9(14)12(10)13/h2,4-5,16H,3,6-8H2,1H3,(H,15,17)
InChIKeyBQNBCEXCINXWDW-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-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 55131664
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 103479185
3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 109015481
N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide
CID 108943408
N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide
CID 61486510
2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
CID 60652992
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 60681149
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
CID 107611425
methyl 3-(2-bromo-3-chloroanilino)propanoate
CID 103479005
ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate
CID 108994192
N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide
CID 54824114
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835595

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide (CID 103478891) is 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNc1cccc(Cl)c1Br.
What is the InChIKey of 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is BQNBCEXCINXWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2/c1-18-7-3-6-15-11(17)8-16-10-5-2-4-9(14)12(10)13/h2,4-5,16H,3,6-8H2,1H3,(H,15,17).
What are the key properties of 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide?
2-(2-bromo-3-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-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 103478891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).