2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide

C11H11ClFN3O — CID 103773178

IUPAC2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)CNc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H11ClFN3O/c12-8-4-9(13)6-10(5-8)16-7-11(17)15-3-1-2-14/h4-6,16H,1,3,7H2,(H,15,17)
InChIKeyKUFHARPRBSIFPS-UHFFFAOYSA-N
MW255.68 g/mol
LogP1.92
Rot. Bonds5

About 2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide

2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide (PubChem CID 103773178) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide
PubChem CID103773178
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)CNc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H11ClFN3O/c12-8-4-9(13)6-10(5-8)16-7-11(17)15-3-1-2-14/h4-6,16H,1,3,7H2,(H,15,17)
InChIKeyKUFHARPRBSIFPS-UHFFFAOYSA-N
XLogP1.92
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 51.92
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-(3-chloro-5-fluoroanilino)-N-propylacetamide
CID 103773177
2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107365239
2-(3-chloro-5-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 107365048
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234
N-(2-cyanoethyl)-2-(3,4-dicyanoanilino)acetamide
CID 107789307
3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
CID 107365336
2-(3-bromo-4-methylanilino)-N-(2-cyanoethyl)acetamide
CID 63334311
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-cyanoethyl)acetamide
CID 28572795
2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
CID 60702097
2-anilino-N-(3-cyanopropyl)acetamide
CID 62666657
N-(2-cyanoethyl)-2-(2,5-dimethylanilino)acetamide
CID 28585854
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide
CID 109006882

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide (CID 103773178) is 2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide is N#CCCNC(=O)CNc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide?
The InChIKey is KUFHARPRBSIFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c12-8-4-9(13)6-10(5-8)16-7-11(17)15-3-1-2-14/h4-6,16H,1,3,7H2,(H,15,17).
What are the key properties of 2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide?
2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide has a molecular weight of 255.68 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 103773178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).