3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide

C14H18FN3O — CID 103722515

IUPAC3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)Cc1ccc(C#N)cc1F
InChIInChI=1S/C14H18FN3O/c1-10(14(19)17-2)8-18(3)9-12-5-4-11(7-16)6-13(12)15/h4-6,10H,8-9H2,1-3H3,(H,17,19)
InChIKeyKNCYLRAFBMPIFS-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.51
Rot. Bonds5

About 3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide

3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 103722515) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide
PubChem CID103722515
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)Cc1ccc(C#N)cc1F
InChIInChI=1S/C14H18FN3O/c1-10(14(19)17-2)8-18(3)9-12-5-4-11(7-16)6-13(12)15/h4-6,10H,8-9H2,1-3H3,(H,17,19)
InChIKeyKNCYLRAFBMPIFS-UHFFFAOYSA-N
XLogP1.51
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103722519
4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 62685924
3-fluoro-4-[[methyl(propyl)amino]methyl]benzonitrile
CID 43271253
4-[(4-cyano-2-fluorophenyl)methyl-methylamino]butanoic acid
CID 55006024
3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887363
3-[(2-amino-4-bromophenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914748
3-[(2,4-difluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 62197976
3-[(5-bromo-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887345
4-[[(2-aminophenyl)methyl-methylamino]methyl]-3-fluorobenzonitrile
CID 43458571
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide
CID 112685872
3-[(5-amino-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914812
2-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 17423821

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide (CID 103722515) is 3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)Cc1ccc(C#N)cc1F.
What is the InChIKey of 3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is KNCYLRAFBMPIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(14(19)17-2)8-18(3)9-12-5-4-11(7-16)6-13(12)15/h4-6,10H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide?
3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 263.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 103722515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).