N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide

C14H18FN3O — CID 51727361

IUPACN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O/c1-10(2)14(3,9-16)18-13(19)8-17-12-6-4-11(15)5-7-12/h4-7,10,17H,8H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyYCFRPRHIDDFWAW-CQSZACIVSA-N
MW263.32 g/mol
LogP2.29
Rot. Bonds5

About N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide (PubChem CID 51727361) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide
PubChem CID51727361
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O/c1-10(2)14(3,9-16)18-13(19)8-17-12-6-4-11(15)5-7-12/h4-7,10,17H,8H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyYCFRPRHIDDFWAW-CQSZACIVSA-N
XLogP2.29
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide
CID 94183956
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3,5-dimethylanilino)acetamide
CID 51726807
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 51883684
2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95282516
2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60671142
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide
CID 39963780
2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 43015934
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2667946
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7972411
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 95285313
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026918
2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95292352

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide (CID 51727361) is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide is CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide?
The InChIKey is YCFRPRHIDDFWAW-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(2)14(3,9-16)18-13(19)8-17-12-6-4-11(15)5-7-12/h4-7,10,17H,8H2,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide?
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide has a molecular weight of 263.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 51727361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).