2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide

C12H13F2N3O — CID 107933584

IUPAC2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide
SMILESCC(C)N(CC(N)=O)c1ccc(C#N)c(F)c1F
InChIInChI=1S/C12H13F2N3O/c1-7(2)17(6-10(16)18)9-4-3-8(5-15)11(13)12(9)14/h3-4,7H,6H2,1-2H3,(H2,16,18)
InChIKeyLOHYKZAEEDXYMG-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.54
Rot. Bonds4

About 2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide

2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide (PubChem CID 107933584) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide
PubChem CID107933584
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide
SMILESCC(C)N(CC(N)=O)c1ccc(C#N)c(F)c1F
InChIInChI=1S/C12H13F2N3O/c1-7(2)17(6-10(16)18)9-4-3-8(5-15)11(13)12(9)14/h3-4,7H,6H2,1-2H3,(H2,16,18)
InChIKeyLOHYKZAEEDXYMG-UHFFFAOYSA-N
XLogP1.54
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-cyano-2,3-difluoro-N-methylanilino)-2-methylpropanoate
CID 107933615
3-(4-cyano-2,3-difluoroanilino)butanamide
CID 107934186
2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-5-fluorobenzoic acid
CID 54989181
2-[2-cyano-4-fluoro-N-(2-methylpropyl)anilino]acetamide
CID 63669381
2-(2-carbamothioyl-4-fluoro-N-propan-2-ylanilino)acetamide
CID 63674904
methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate
CID 107933593
methyl 2-(4-carbamothioyl-2,3-difluoro-N-propan-2-ylanilino)acetate
CID 107934795
2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide
CID 54989077
ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate
CID 62308708
2-(4-carbamothioyl-2-chloro-N-propan-2-ylanilino)acetamide
CID 63087470
2-[(3-cyano-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 63239746
2-bromo-3-fluoro-4-[propan-2-yl(prop-2-enyl)amino]benzonitrile
CID 107533919

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide?
The IUPAC name of 2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide (CID 107933584) is 2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide.
What is the SMILES notation for 2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide?
The canonical SMILES for 2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide is CC(C)N(CC(N)=O)c1ccc(C#N)c(F)c1F.
What is the InChIKey of 2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide?
The InChIKey is LOHYKZAEEDXYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-7(2)17(6-10(16)18)9-4-3-8(5-15)11(13)12(9)14/h3-4,7H,6H2,1-2H3,(H2,16,18).
What are the key properties of 2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide?
2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide has a molecular weight of 253.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide is sourced from PubChem (CID 107933584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).