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

C13H18BrClN2O2 — CID 103479185

IUPAC2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H18BrClN2O2/c1-9(13(18)16-7-4-8-19-2)17-11-6-3-5-10(15)12(11)14/h3,5-6,9,17H,4,7-8H2,1-2H3,(H,16,18)
InChIKeyLKXYXCKOTBZNLU-UHFFFAOYSA-N
MW349.66 g/mol
LogP3.06
Rot. Bonds7

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

2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide (PubChem CID 103479185) has the molecular formula C13H18BrClN2O2 and a molecular weight of 349.66 g/mol. Its IUPAC name is 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide
PubChem CID103479185
Molecular FormulaC13H18BrClN2O2
Molecular Weight349.66 g/mol
Exact Mass348.02
IUPAC Name2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H18BrClN2O2/c1-9(13(18)16-7-4-8-19-2)17-11-6-3-5-10(15)12(11)14/h3,5-6,9,17H,4,7-8H2,1-2H3,(H,16,18)
InChIKeyLKXYXCKOTBZNLU-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 53.06
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)propanamide
CID 55132443
2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 107788878
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 103478891
2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 103479110
2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide
CID 103478867
2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide
CID 61473681
2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide
CID 103478871
2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide
CID 107804570
2-(2-bromo-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 43119467
2-(3,5-dichloro-4-fluoroanilino)-N-(3-methoxypropyl)propanamide
CID 103579856
2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 107715953
N-(2-methoxyethyl)-2-(naphthalen-1-ylamino)propanamide
CID 43086869

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide (CID 103479185) is 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Nc1cccc(Cl)c1Br.
What is the InChIKey of 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide?
The InChIKey is LKXYXCKOTBZNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O2/c1-9(13(18)16-7-4-8-19-2)17-11-6-3-5-10(15)12(11)14/h3,5-6,9,17H,4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide?
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide has a molecular weight of 349.66 g/mol, XLogP of 3.06, 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)propanamide is sourced from PubChem (CID 103479185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).