(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide

C15H20FN3O — CID 79012793

IUPAC(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C15H20FN3O/c1-4-19(15(20)14(18)10(2)3)9-12-6-5-11(8-17)7-13(12)16/h5-7,10,14H,4,9,18H2,1-3H3/t14-/m1/s1
InChIKeyGBCILRRDGOUOQE-CQSZACIVSA-N
MW277.34 g/mol
LogP2.03
Rot. Bonds5

About (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide

(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide (PubChem CID 79012793) 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-ethyl-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide
PubChem CID79012793
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide
SMILESCCN(Cc1ccc(C#N)cc1F)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C15H20FN3O/c1-4-19(15(20)14(18)10(2)3)9-12-6-5-11(8-17)7-13(12)16/h5-7,10,14H,4,9,18H2,1-3H3/t14-/m1/s1
InChIKeyGBCILRRDGOUOQE-CQSZACIVSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylpentanamide
CID 61174450
(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 107568965
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methoxypropanamide
CID 112685872
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 81083579
2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265040
5-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylhexanamide
CID 82850013
3-(aminomethyl)-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethylpentanamide
CID 81083740
1-[(4-cyano-2-fluorophenyl)methyl]-1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53498144
N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 79272052
4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 62685924
3-fluoro-4-[[methyl(propyl)amino]methyl]benzonitrile
CID 43271253
2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 77144498

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide (CID 79012793) is (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide is CCN(Cc1ccc(C#N)cc1F)C(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide?
The InChIKey is GBCILRRDGOUOQE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-4-19(15(20)14(18)10(2)3)9-12-6-5-11(8-17)7-13(12)16/h5-7,10,14H,4,9,18H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide?
(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide has a molecular weight of 277.34 g/mol, XLogP of 2.03, 5 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-ethyl-3-methylbutanamide is sourced from PubChem (CID 79012793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).