2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide

C10H8BrClFN3O — CID 113341656

IUPAC2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CNc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H8BrClFN3O/c11-7-3-6(13)4-8(12)10(7)16-5-9(17)15-2-1-14/h3-4,16H,2,5H2,(H,15,17)
InChIKeyMFOKKDLBZWIXIJ-UHFFFAOYSA-N
MW320.55 g/mol
LogP2.29
Rot. Bonds4

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

2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide (PubChem CID 113341656) has the molecular formula C10H8BrClFN3O and a molecular weight of 320.55 g/mol. Its IUPAC name is 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide
PubChem CID113341656
Molecular FormulaC10H8BrClFN3O
Molecular Weight320.55 g/mol
Exact Mass318.95
IUPAC Name2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CNc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H8BrClFN3O/c11-7-3-6(13)4-8(12)10(7)16-5-9(17)15-2-1-14/h3-4,16H,2,5H2,(H,15,17)
InChIKeyMFOKKDLBZWIXIJ-UHFFFAOYSA-N
XLogP2.29
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107611469
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
CID 107611425
2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide
CID 104878297
2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide
CID 54956526
2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide
CID 126773085
3-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611377
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide
CID 107612048
N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide
CID 107612174
4-(2-bromo-6-chloro-4-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 107609248
tert-butyl N-[3-(2-bromo-6-chloro-4-fluoroanilino)propyl]carbamate
CID 107610574
2-(2-bromo-5-methylanilino)-N-(cyanomethyl)acetamide
CID 82713144

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide (CID 113341656) is 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide is N#CCNC(=O)CNc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide?
The InChIKey is MFOKKDLBZWIXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClFN3O/c11-7-3-6(13)4-8(12)10(7)16-5-9(17)15-2-1-14/h3-4,16H,2,5H2,(H,15,17).
What are the key properties of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide?
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide has a molecular weight of 320.55 g/mol, XLogP of 2.29, 4 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-(cyanomethyl)acetamide is sourced from PubChem (CID 113341656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).