3-cyano-N-(3-fluorophenyl)propanamide

C10H9FN2O — CID 82111905

IUPAC3-cyano-N-(3-fluorophenyl)propanamide
SMILESN#CCCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H9FN2O/c11-8-3-1-4-9(7-8)13-10(14)5-2-6-12/h1,3-4,7H,2,5H2,(H,13,14)
InChIKeyIJHOQWZTSIHIRN-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.07
Rot. Bonds3

About 3-cyano-N-(3-fluorophenyl)propanamide

3-cyano-N-(3-fluorophenyl)propanamide (PubChem CID 82111905) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 3-cyano-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-cyano-N-(3-fluorophenyl)propanamide
PubChem CID82111905
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name3-cyano-N-(3-fluorophenyl)propanamide
SMILESN#CCCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H9FN2O/c11-8-3-1-4-9(7-8)13-10(14)5-2-6-12/h1,3-4,7H,2,5H2,(H,13,14)
InChIKeyIJHOQWZTSIHIRN-UHFFFAOYSA-N
XLogP2.07
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide
CID 11391010
3-[[3-(3-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 43466320
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
[(1S)-1-cyanoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223815
N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9041614
N-(3-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430420
3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
CID 109042035

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-cyano-N-(3-fluorophenyl)propanamide (CID 82111905) is 3-cyano-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-cyano-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-cyano-N-(3-fluorophenyl)propanamide is N#CCCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-cyano-N-(3-fluorophenyl)propanamide?
The InChIKey is IJHOQWZTSIHIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-8-3-1-4-9(7-8)13-10(14)5-2-6-12/h1,3-4,7H,2,5H2,(H,13,14).
What are the key properties of 3-cyano-N-(3-fluorophenyl)propanamide?
3-cyano-N-(3-fluorophenyl)propanamide has a molecular weight of 192.19 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 82111905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).