(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide

C13H15FN2O — CID 95617372

IUPAC(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C#N)c1ccccc1F
InChIInChI=1S/C13H15FN2O/c1-3-9(2)13(17)16-12(8-15)10-6-4-5-7-11(10)14/h4-7,9,12H,3H2,1-2H3,(H,16,17)/t9-,12-/m1/s1
InChIKeyBBLSDWXNFANPKJ-BXKDBHETSA-N
MW234.27 g/mol
LogP2.55
Rot. Bonds4

About (2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide

(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide (PubChem CID 95617372) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is (2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide
PubChem CID95617372
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C#N)c1ccccc1F
InChIInChI=1S/C13H15FN2O/c1-3-9(2)13(17)16-12(8-15)10-6-4-5-7-11(10)14/h4-7,9,12H,3H2,1-2H3,(H,16,17)/t9-,12-/m1/s1
InChIKeyBBLSDWXNFANPKJ-BXKDBHETSA-N
XLogP2.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide 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

(2S)-N-[(R)-cyano-(2-methylphenyl)methyl]-2-methylbutanamide
CID 95172187
N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide
CID 95617367
N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013
N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 56571896
2-bromo-N-[(S)-cyano-(2-fluorophenyl)methyl]benzamide
CID 96533894
N-[cyano-(2-fluorophenyl)methyl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 56515395
N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 164643765
(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
CID 28520327
3-(ethylamino)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide
CID 62851853
4-ethyl-2-(2-fluorophenyl)-3-oxohexanenitrile
CID 54977853
N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 56784288
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetonitrile
CID 82019759

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide (CID 95617372) is (2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide is CC[C@@H](C)C(=O)N[C@H](C#N)c1ccccc1F.
What is the InChIKey of (2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide?
The InChIKey is BBLSDWXNFANPKJ-BXKDBHETSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-9(2)13(17)16-12(8-15)10-6-4-5-7-11(10)14/h4-7,9,12H,3H2,1-2H3,(H,16,17)/t9-,12-/m1/s1.
What are the key properties of (2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide?
(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide has a molecular weight of 234.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide is sourced from PubChem (CID 95617372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).