N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide

C12H13FN2O — CID 61119665

IUPACN-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide
SMILESCCC(C#N)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C12H13FN2O/c1-2-11(8-14)15-12(16)7-9-4-3-5-10(13)6-9/h3-6,11H,2,7H2,1H3,(H,15,16)
InChIKeyCRFIJURDLRKAQN-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.79
Rot. Bonds4

About N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide

N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide (PubChem CID 61119665) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide
PubChem CID61119665
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC NameN-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide
SMILESCCC(C#N)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C12H13FN2O/c1-2-11(8-14)15-12(16)7-9-4-3-5-10(13)6-9/h3-6,11H,2,7H2,1H3,(H,15,16)
InChIKeyCRFIJURDLRKAQN-UHFFFAOYSA-N
XLogP1.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
1-(1-cyanopropyl)-3-(3-fluorophenyl)urea
CID 61124603
N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide
CID 55067567
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79255031
N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 83180361
N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 95292371
(3S)-3-[[2-(3-fluorophenyl)acetyl]amino]hexanoic acid
CID 97328206
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide
CID 39963780
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 62092603
3-cyano-3-(3-fluoroanilino)-N-methylpropanamide
CID 66428420
2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide
CID 108924377

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide (CID 61119665) is N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide is CCC(C#N)NC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide?
The InChIKey is CRFIJURDLRKAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-2-11(8-14)15-12(16)7-9-4-3-5-10(13)6-9/h3-6,11H,2,7H2,1H3,(H,15,16).
What are the key properties of N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide?
N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide has a molecular weight of 220.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 61119665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).