2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide

C12H15BrClFN2O2 — CID 107611425

IUPAC2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2O2/c1-19-4-2-3-16-11(18)7-17-12-9(13)5-8(15)6-10(12)14/h5-6,17H,2-4,7H2,1H3,(H,16,18)
InChIKeyNRRWVMQDOQZLMP-UHFFFAOYSA-N
MW353.62 g/mol
LogP2.81
Rot. Bonds7

About 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide

2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 107611425) has the molecular formula C12H15BrClFN2O2 and a molecular weight of 353.62 g/mol. Its IUPAC name is 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
PubChem CID107611425
Molecular FormulaC12H15BrClFN2O2
Molecular Weight353.62 g/mol
Exact Mass352.00
IUPAC Name2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2O2/c1-19-4-2-3-16-11(18)7-17-12-9(13)5-8(15)6-10(12)14/h5-6,17H,2-4,7H2,1H3,(H,16,18)
InChIKeyNRRWVMQDOQZLMP-UHFFFAOYSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.62
LogP ≤ 52.81
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

N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide
CID 61486510
2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide
CID 54956526
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide
CID 113341656
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107611469
2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
CID 60702097
N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide
CID 107644367
tert-butyl N-[3-(2-bromo-6-chloro-4-fluoroanilino)propyl]carbamate
CID 107610574
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 55131664
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 103478891
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 107611396
N-(3-methoxypropyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54811773
2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide
CID 104878297

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide (CID 107611425) is 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is NRRWVMQDOQZLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClFN2O2/c1-19-4-2-3-16-11(18)7-17-12-9(13)5-8(15)6-10(12)14/h5-6,17H,2-4,7H2,1H3,(H,16,18).
What are the key properties of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide?
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide has a molecular weight of 353.62 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 107611425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).