2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide

C15H20FN3O — CID 60945520

IUPAC2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide
SMILESCCCC(C)(N)C(=O)N(C)Cc1cc(C#N)ccc1F
InChIInChI=1S/C15H20FN3O/c1-4-7-15(2,18)14(20)19(3)10-12-8-11(9-17)5-6-13(12)16/h5-6,8H,4,7,10,18H2,1-3H3
InChIKeyAKHBIWPSBAEAEP-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.17
Rot. Bonds5

About 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide

2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide (PubChem CID 60945520) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide
PubChem CID60945520
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide
SMILESCCCC(C)(N)C(=O)N(C)Cc1cc(C#N)ccc1F
InChIInChI=1S/C15H20FN3O/c1-4-7-15(2,18)14(20)19(3)10-12-8-11(9-17)5-6-13(12)16/h5-6,8H,4,7,10,18H2,1-3H3
InChIKeyAKHBIWPSBAEAEP-UHFFFAOYSA-N
XLogP2.17
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpentanamide
CID 93371369
4-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302758
4-fluoro-3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]benzonitrile
CID 78927342
3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 61107144
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbut-2-enamide
CID 112727359
2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide
CID 60959792
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 43442256
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265040
2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylpentanamide
CID 60936876
5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 35382217
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 54872621

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide?
The IUPAC name of 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide (CID 60945520) is 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide?
The canonical SMILES for 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide is CCCC(C)(N)C(=O)N(C)Cc1cc(C#N)ccc1F.
What is the InChIKey of 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide?
The InChIKey is AKHBIWPSBAEAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-4-7-15(2,18)14(20)19(3)10-12-8-11(9-17)5-6-13(12)16/h5-6,8H,4,7,10,18H2,1-3H3.
What are the key properties of 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide?
2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide has a molecular weight of 277.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide is sourced from PubChem (CID 60945520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).