2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide

C15H20FN3O — CID 107471228

IUPAC2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1cccc(F)c1C#N
InChIInChI=1S/C15H20FN3O/c1-15(2,3)7-10(8-17)14(20)19-13-6-4-5-12(16)11(13)9-18/h4-6,10H,7-8,17H2,1-3H3,(H,19,20)
InChIKeyWVRJMSJQEUQSBK-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.65
Rot. Bonds4

About 2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide (PubChem CID 107471228) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide
PubChem CID107471228
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1cccc(F)c1C#N
InChIInChI=1S/C15H20FN3O/c1-15(2,3)7-10(8-17)14(20)19-13-6-4-5-12(16)11(13)9-18/h4-6,10H,7-8,17H2,1-3H3,(H,19,20)
InChIKeyWVRJMSJQEUQSBK-UHFFFAOYSA-N
XLogP2.65
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-cyano-3-fluorophenyl)-4-methylpentanamide
CID 43580760
2-amino-N-(2-cyano-3-fluorophenyl)-3-methoxypropanamide
CID 81081464
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580716
2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide
CID 61264990
(2S)-2-amino-N-(2-cyano-3-fluorophenyl)-4-methylsulfanylbutanamide
CID 61154404
2-amino-N-(2-cyano-3-fluorophenyl)acetamide
CID 43580746
N-(2-cyano-3-fluorophenyl)-2-methylsulfonylpropanamide
CID 113234246
2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
CID 107470943
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
2-[[(2-cyano-3-fluorophenyl)carbamoylamino]methyl]butanoic acid
CID 65223662
2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide
CID 107611587

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide (CID 107471228) is 2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)Nc1cccc(F)c1C#N.
What is the InChIKey of 2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide?
The InChIKey is WVRJMSJQEUQSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-15(2,3)7-10(8-17)14(20)19-13-6-4-5-12(16)11(13)9-18/h4-6,10H,7-8,17H2,1-3H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide has a molecular weight of 277.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107471228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).