2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide

C11H12FN3O — CID 107936380

IUPAC2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide
SMILESCCNC(C(N)=O)c1ccc(F)c(C#N)c1
InChIInChI=1S/C11H12FN3O/c1-2-15-10(11(14)16)7-3-4-9(12)8(5-7)6-13/h3-5,10,15H,2H2,1H3,(H2,14,16)
InChIKeyHYVSVQLUGDZGEA-UHFFFAOYSA-N
MW221.24 g/mol
LogP0.83
Rot. Bonds4

About 2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide

2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide (PubChem CID 107936380) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide.

Molecular Properties

Compound Name2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide
PubChem CID107936380
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide
SMILESCCNC(C(N)=O)c1ccc(F)c(C#N)c1
InChIInChI=1S/C11H12FN3O/c1-2-15-10(11(14)16)7-3-4-9(12)8(5-7)6-13/h3-5,10,15H,2H2,1H3,(H2,14,16)
InChIKeyHYVSVQLUGDZGEA-UHFFFAOYSA-N
XLogP0.83
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyano-4-fluorophenyl)-2-(cyclopropylamino)acetamide
CID 107936391
5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile
CID 55296121
2-(ethylamino)-2-(3-fluorophenyl)acetamide
CID 60786563
methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate
CID 131484786
ethyl 4-(3-cyano-4-fluorophenyl)-4-hydroxybutanoate
CID 107936566
methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate
CID 60787024
methyl 3-(3-cyano-4-fluorophenyl)-2,3-dihydroxypropanoate
CID 171864069
2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 106817617
5-(1-aminobutyl)-2-fluorobenzonitrile
CID 55295759
3-(3-cyano-4-fluorophenyl)-3-(propan-2-ylamino)propanoic acid
CID 118047075
5-[(1R)-1-aminobutyl]-2-fluorobenzonitrile;hydrochloride
CID 171210968
5-[(E)-3-(ethylamino)-2-methylbut-1-enyl]-2-fluorobenzonitrile
CID 114018091

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide?
The IUPAC name of 2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide (CID 107936380) is 2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide.
What is the SMILES notation for 2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide?
The canonical SMILES for 2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide is CCNC(C(N)=O)c1ccc(F)c(C#N)c1.
What is the InChIKey of 2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide?
The InChIKey is HYVSVQLUGDZGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-2-15-10(11(14)16)7-3-4-9(12)8(5-7)6-13/h3-5,10,15H,2H2,1H3,(H2,14,16).
What are the key properties of 2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide?
2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide has a molecular weight of 221.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide is sourced from PubChem (CID 107936380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).