N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide

C16H13FN2O2 — CID 62315442

IUPACN-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide
SMILESN#Cc1cc(NC(=O)CCOc2ccccc2)ccc1F
InChIInChI=1S/C16H13FN2O2/c17-15-7-6-13(10-12(15)11-18)19-16(20)8-9-21-14-4-2-1-3-5-14/h1-7,10H,8-9H2,(H,19,20)
InChIKeyAGKCNJUBHIQGQL-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.10
Rot. Bonds5

About N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide

N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide (PubChem CID 62315442) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide
PubChem CID62315442
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide
SMILESN#Cc1cc(NC(=O)CCOc2ccccc2)ccc1F
InChIInChI=1S/C16H13FN2O2/c17-15-7-6-13(10-12(15)11-18)19-16(20)8-9-21-14-4-2-1-3-5-14/h1-7,10H,8-9H2,(H,19,20)
InChIKeyAGKCNJUBHIQGQL-UHFFFAOYSA-N
XLogP3.10
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316865
2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62317828
2-(3-cyano-4-fluoroanilino)-N-phenylacetamide
CID 62317173
N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide
CID 112990218
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 62315790
N-(3-cyano-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 55057780
2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid
CID 108806972
N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide
CID 38701334
2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311
N-(4-amino-3-bromophenyl)-3-phenoxypropanamide
CID 82861847

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide (CID 62315442) is N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide is N#Cc1cc(NC(=O)CCOc2ccccc2)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide?
The InChIKey is AGKCNJUBHIQGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-15-7-6-13(10-12(15)11-18)19-16(20)8-9-21-14-4-2-1-3-5-14/h1-7,10H,8-9H2,(H,19,20).
What are the key properties of N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide?
N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide has a molecular weight of 284.29 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-3-phenoxypropanamide is sourced from PubChem (CID 62315442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).