3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide

C14H18FN3O — CID 106276943

IUPAC3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1cc(F)ccc1C#N
InChIInChI=1S/C14H18FN3O/c1-14(2,13(19)17-3)9-18-8-11-6-12(15)5-4-10(11)7-16/h4-6,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyGOAVPQIIMAUVGW-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.56
Rot. Bonds5

About 3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide

3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide (PubChem CID 106276943) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide
PubChem CID106276943
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCc1cc(F)ccc1C#N
InChIInChI=1S/C14H18FN3O/c1-14(2,13(19)17-3)9-18-8-11-6-12(15)5-4-10(11)7-16/h4-6,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyGOAVPQIIMAUVGW-UHFFFAOYSA-N
XLogP1.56
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-cyano-2-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide
CID 106277183
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide
CID 103824330
4-fluoro-2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]benzonitrile
CID 106146937
4-fluoro-2-[(2,3,3-trimethylbutylamino)methyl]benzonitrile
CID 107904704
3-[(2-cyano-5-fluorophenyl)methylamino]-2,2,3-trimethylbutanoic acid
CID 65265482
4-fluoro-2-[(2-methylprop-2-enylamino)methyl]benzonitrile
CID 107904916
2-[(2-cyano-5-fluorophenyl)methylamino]-2-methylpentanoic acid
CID 64770461
3-[(2,4-dimethylphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 113278332
3-[(3,4-difluorophenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824416
3-(5-bromo-2-cyanoanilino)-N,2,2-trimethylpropanamide
CID 114167373
2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide
CID 107903904
4-fluoro-2-[(octylamino)methyl]benzonitrile
CID 107904656

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide (CID 106276943) is 3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCc1cc(F)ccc1C#N.
What is the InChIKey of 3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide?
The InChIKey is GOAVPQIIMAUVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-14(2,13(19)17-3)9-18-8-11-6-12(15)5-4-10(11)7-16/h4-6,18H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide?
3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide has a molecular weight of 263.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyano-5-fluorophenyl)methylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106276943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).