N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide

C14H17FN2O — CID 39963780

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H17FN2O/c1-10(2)14(3,9-16)17-13(18)8-11-5-4-6-12(15)7-11/h4-7,10H,8H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyUYVLWCAODYYUDR-AWEZNQCLSA-N
MW248.30 g/mol
LogP2.42
Rot. Bonds4

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 39963780) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide
PubChem CID39963780
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C14H17FN2O/c1-10(2)14(3,9-16)17-13(18)8-11-5-4-6-12(15)7-11/h4-7,10H,8H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyUYVLWCAODYYUDR-AWEZNQCLSA-N
XLogP2.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 78621363
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8720072
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662599
2-(3-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 78800383
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide
CID 51727361
N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide
CID 61119665
2-(2-chloro-4-methylphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 22104897
N-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119607062
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3,5-dimethylanilino)acetamide
CID 51726807
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-fluorobenzoate
CID 2651017

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide (CID 39963780) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide is CC(C)[C@](C)(C#N)NC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide?
The InChIKey is UYVLWCAODYYUDR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-10(2)14(3,9-16)17-13(18)8-11-5-4-6-12(15)7-11/h4-7,10H,8H2,1-3H3,(H,17,18)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide has a molecular weight of 248.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 39963780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).