N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide

C15H19FN2O — CID 60789517

IUPACN-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)C(C)(C)C
InChIInChI=1S/C15H19FN2O/c1-5-18(14(19)15(2,3)4)10-12-7-6-11(9-17)8-13(12)16/h6-8H,5,10H2,1-4H3
InChIKeyYZYKVWKDTHDRBX-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.09
Rot. Bonds3

About N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide

N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide (PubChem CID 60789517) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide
PubChem CID60789517
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)C(C)(C)C
InChIInChI=1S/C15H19FN2O/c1-5-18(14(19)15(2,3)4)10-12-7-6-11(9-17)8-13(12)16/h6-8H,5,10H2,1-4H3
InChIKeyYZYKVWKDTHDRBX-UHFFFAOYSA-N
XLogP3.09
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tebutam
CID 92299
N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
2-Methyl-1-(4-methylbenzyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
CID 2763790
N-benzyl-N,2,2-trimethylbutanamide
CID 4634732
N-[(2-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446659
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446757
N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446778
N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446782
N-[(2,5-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446783
N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
CID 121446847
N,2,2-Trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
CID 121446878
N-[(4-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446902

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide?
The IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide (CID 60789517) is N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide?
The canonical SMILES for N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide is CCN(Cc1ccc(C#N)cc1F)C(=O)C(C)(C)C.
What is the InChIKey of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide?
The InChIKey is YZYKVWKDTHDRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-5-18(14(19)15(2,3)4)10-12-7-6-11(9-17)8-13(12)16/h6-8H,5,10H2,1-4H3.
What are the key properties of N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide?
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide has a molecular weight of 262.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2,2-dimethylpropanamide is sourced from PubChem (CID 60789517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).