2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide

C11H12FN3O — CID 103102397

IUPAC2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide
SMILESCCN(CC(N)=O)c1cc(F)cc(C#N)c1
InChIInChI=1S/C11H12FN3O/c1-2-15(7-11(14)16)10-4-8(6-13)3-9(12)5-10/h3-5H,2,7H2,1H3,(H2,14,16)
InChIKeyDREVTWSRYYHNEE-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.01
Rot. Bonds4

About 2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide

2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide (PubChem CID 103102397) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide.

Molecular Properties

Compound Name2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide
PubChem CID103102397
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide
SMILESCCN(CC(N)=O)c1cc(F)cc(C#N)c1
InChIInChI=1S/C11H12FN3O/c1-2-15(7-11(14)16)10-4-8(6-13)3-9(12)5-10/h3-5H,2,7H2,1H3,(H2,14,16)
InChIKeyDREVTWSRYYHNEE-UHFFFAOYSA-N
XLogP1.01
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Gsk232420A
CID 11472813
2-(benzylamino)-N-(4-fluorophenyl)acetamide
CID 670654
N~2~-[4-Cyano-3-(Trifluoromethyl)phenyl]-N,N-Dimethyl-N~2~-(2,2,2-Trifluoroethyl)-L-Alaninamide
CID 11326074
N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 4879932
2-(Diethylamino)-N-(2-methylphenyl)acetamide
CID 18570
N-(3-cyanophenyl)acetamide
CID 737204
2-(azepan-1-yl)-N-(3-methylphenyl)acetamide
CID 1537229
2-[4-(2-cyanophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 11724450
rac 2-((4-cyano-3-(trifluoromethyl)phenyl)(2,2,2-trifluoroethyl)amino)-N,N-dimethylacetamide
CID 45272032
Acetamide, N,N-dimethyl-2-(o-toluidino)-
CID 59815
N-(3-cyanophenyl)-2-methylpropanamide
CID 16383207
N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2655002

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide?
The IUPAC name of 2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide (CID 103102397) is 2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide.
What is the SMILES notation for 2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide?
The canonical SMILES for 2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide is CCN(CC(N)=O)c1cc(F)cc(C#N)c1.
What is the InChIKey of 2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide?
The InChIKey is DREVTWSRYYHNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-2-15(7-11(14)16)10-4-8(6-13)3-9(12)5-10/h3-5H,2,7H2,1H3,(H2,14,16).
What are the key properties of 2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide?
2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide has a molecular weight of 221.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide is sourced from PubChem (CID 103102397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).