2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide

C12H15F2N3O2 — CID 35823872

IUPAC2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CNc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N3O2/c1-7(2)16-12(19)17-11(18)6-15-10-4-8(13)3-9(14)5-10/h3-5,7,15H,6H2,1-2H3,(H2,16,17,18,19)
InChIKeyPSCKJNJMSJEWLS-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.61
Rot. Bonds4

About 2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide

2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 35823872) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID35823872
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CNc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N3O2/c1-7(2)16-12(19)17-11(18)6-15-10-4-8(13)3-9(14)5-10/h3-5,7,15H,6H2,1-2H3,(H2,16,17,18,19)
InChIKeyPSCKJNJMSJEWLS-UHFFFAOYSA-N
XLogP1.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 5-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]benzene-1,3-dicarboxylate
CID 36585588
2-(3-cyano-5-fluoroanilino)-N-propan-2-ylacetamide
CID 102815411
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
methyl 2-chloro-5-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]benzoate
CID 37230322
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234
3-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 18144697
2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
CID 28576141
2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 79054522
2-(4-fluoroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506069
2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 18096510
1-(3,5-difluoroanilino)propan-2-ol
CID 60886197
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 9223749

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide (CID 35823872) is 2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CNc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is PSCKJNJMSJEWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c1-7(2)16-12(19)17-11(18)6-15-10-4-8(13)3-9(14)5-10/h3-5,7,15H,6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide?
2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 271.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoroanilino)-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 35823872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).