N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide

C14H17FN2O2 — CID 95617367

IUPACN-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)N[C@H](C#N)c1ccccc1F
InChIInChI=1S/C14H17FN2O2/c1-10(2)19-8-7-14(18)17-13(9-16)11-5-3-4-6-12(11)15/h3-6,10,13H,7-8H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyCSUZEFZODFOJHK-CYBMUJFWSA-N
MW264.30 g/mol
LogP2.32
Rot. Bonds6

About N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide

N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide (PubChem CID 95617367) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide
PubChem CID95617367
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)N[C@H](C#N)c1ccccc1F
InChIInChI=1S/C14H17FN2O2/c1-10(2)19-8-7-14(18)17-13(9-16)11-5-3-4-6-12(11)15/h3-6,10,13H,7-8H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyCSUZEFZODFOJHK-CYBMUJFWSA-N
XLogP2.32
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 56571896
(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide
CID 95617372
4-(3-bromophenoxy)-N-[cyano-(2-fluorophenyl)methyl]butanamide
CID 56514887
N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 164643765
N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 97228566
N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013
(2S,5S)-2-cyano-5-(2-fluorophenyl)-3-oxo-N-(3-propan-2-yloxypropyl)hexanamide
CID 98130558
2-bromo-N-[(S)-cyano-(2-fluorophenyl)methyl]benzamide
CID 96533894
(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
CID 28520327
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
N-[(R)-cyano-(2-fluorophenyl)methyl]-2-(N-methyl-2-nitroanilino)acetamide
CID 95782040
2-(2-fluorophenyl)-6-methyl-3-oxoheptanenitrile
CID 54977905

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide (CID 95617367) is N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)N[C@H](C#N)c1ccccc1F.
What is the InChIKey of N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide?
The InChIKey is CSUZEFZODFOJHK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-10(2)19-8-7-14(18)17-13(9-16)11-5-3-4-6-12(11)15/h3-6,10,13H,7-8H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide?
N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide has a molecular weight of 264.30 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 95617367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).