(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide

C15H20FN3O — CID 107568965

IUPAC(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
SMILESCCC[C@@H](N)C(=O)N(CC)Cc1ccc(C#N)cc1F
InChIInChI=1S/C15H20FN3O/c1-3-5-14(18)15(20)19(4-2)10-12-7-6-11(9-17)8-13(12)16/h6-8,14H,3-5,10,18H2,1-2H3/t14-/m1/s1
InChIKeyNPEHASYXUPVRTR-CQSZACIVSA-N
MW277.34 g/mol
LogP2.17
Rot. Bonds6

About (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide

(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide (PubChem CID 107568965) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
PubChem CID107568965
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
SMILESCCC[C@@H](N)C(=O)N(CC)Cc1ccc(C#N)cc1F
InChIInChI=1S/C15H20FN3O/c1-3-5-14(18)15(20)19(4-2)10-12-7-6-11(9-17)8-13(12)16/h6-8,14H,3-5,10,18H2,1-2H3/t14-/m1/s1
InChIKeyNPEHASYXUPVRTR-CQSZACIVSA-N
XLogP2.17
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 81083579
(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 79012793
(2S)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylpentanamide
CID 61174450
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide
CID 112685872
5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide
CID 82850013
(2S)-2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpentanamide
CID 93371369
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265040
3-(aminomethyl)-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 81083740
2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide
CID 60944200
3-fluoro-4-[[methyl(propyl)amino]methyl]benzonitrile
CID 43271253
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 79272052
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
CID 93370152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide?
The IUPAC name of (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide (CID 107568965) is (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide is CCC[C@@H](N)C(=O)N(CC)Cc1ccc(C#N)cc1F.
What is the InChIKey of (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide?
The InChIKey is NPEHASYXUPVRTR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-5-14(18)15(20)19(4-2)10-12-7-6-11(9-17)8-13(12)16/h6-8,14H,3-5,10,18H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide?
(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide has a molecular weight of 277.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide is sourced from PubChem (CID 107568965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).