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

C12H16ClFN2O — CID 107365239

IUPAC2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1cc(F)cc(Cl)c1
InChIInChI=1S/C12H16ClFN2O/c1-8(2)6-16-12(17)7-15-11-4-9(13)3-10(14)5-11/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeySMYAJZQUHPTABM-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.66
Rot. Bonds5

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

2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide (PubChem CID 107365239) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide
PubChem CID107365239
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1cc(F)cc(Cl)c1
InChIInChI=1S/C12H16ClFN2O/c1-8(2)6-16-12(17)7-15-11-4-9(13)3-10(14)5-11/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeySMYAJZQUHPTABM-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234
2-(3-chloro-5-fluoroanilino)-N-propylacetamide
CID 103773177
2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide
CID 103773178
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107611469
1-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)thiourea
CID 103773082
2-(3-chloro-5-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 107365048
2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
CID 28576141
3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
CID 107365336
ethyl 3-(3-chloro-5-fluoroanilino)-2-methylpropanoate
CID 107364733
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide (CID 107365239) is 2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is SMYAJZQUHPTABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-8(2)6-16-12(17)7-15-11-4-9(13)3-10(14)5-11/h3-5,8,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide?
2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 258.72 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 107365239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).