2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide

C13H18ClFN2O — CID 103773234

IUPAC2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H18ClFN2O/c1-8(2)9(3)17-13(18)7-16-12-5-10(14)4-11(15)6-12/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyLGZLFTFFOKHOTJ-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.05
Rot. Bonds5

About 2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide

2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 103773234) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
PubChem CID103773234
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H18ClFN2O/c1-8(2)9(3)17-13(18)7-16-12-5-10(14)4-11(15)6-12/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyLGZLFTFFOKHOTJ-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 116699479
2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107365239
2-(3-chloro-5-fluoroanilino)-N-propylacetamide
CID 103773177
2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
CID 28576141
2-(3-chloro-5-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 107365048
2-(3-chloro-5-fluoroanilino)-N-(2-cyanoethyl)acetamide
CID 103773178
2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 35823872
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
CID 107365336
ethyl 3-(3-chloro-5-fluoroanilino)-2-methylpropanoate
CID 107364733
2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide
CID 33007137
2-(3-chloro-5-fluoroanilino)propanoic acid
CID 107363833

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide (CID 103773234) is 2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CNc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is LGZLFTFFOKHOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-8(2)9(3)17-13(18)7-16-12-5-10(14)4-11(15)6-12/h4-6,8-9,16H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide?
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 272.75 g/mol, XLogP of 3.05, 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 103773234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).