N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide

C13H16FN3O — CID 82016198

IUPACN-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C13H16FN3O/c1-4-16-13(2,3)12(18)17-11-6-5-10(14)7-9(11)8-15/h5-7,16H,4H2,1-3H3,(H,17,18)
InChIKeyVWOAWSGFNYJJFH-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.02
Rot. Bonds4

About N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide

N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide (PubChem CID 82016198) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
PubChem CID82016198
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC NameN-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C13H16FN3O/c1-4-16-13(2,3)12(18)17-11-6-5-10(14)7-9(11)8-15/h5-7,16H,4H2,1-3H3,(H,17,18)
InChIKeyVWOAWSGFNYJJFH-UHFFFAOYSA-N
XLogP2.02
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
N-(2-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide
CID 107798144
N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103739884
4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
CID 82015813
1-(2-cyano-4-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115577068
2-[(2-cyano-4-fluorophenyl)carbamoylamino]-N-ethylacetamide
CID 78839111
2-[(2-cyano-4-fluorophenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 82683480
2-cyano-N-(2-cyano-4-fluorophenyl)butanamide
CID 82015517
3-[(2-cyano-4-fluorophenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 82015353
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 55121126
1-(2-cyano-4-fluorophenyl)-3-(3,3,3-trifluoropropyl)urea
CID 78894621

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide (CID 82016198) is N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is VWOAWSGFNYJJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-4-16-13(2,3)12(18)17-11-6-5-10(14)7-9(11)8-15/h5-7,16H,4H2,1-3H3,(H,17,18).
What are the key properties of N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide?
N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 249.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 82016198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).