N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide

C19H17FN2O — CID 975128

IUPACN-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide
SMILESN#CC1(c2ccc(NC(=O)c3ccccc3F)cc2)CCCC1
InChIInChI=1S/C19H17FN2O/c20-17-6-2-1-5-16(17)18(23)22-15-9-7-14(8-10-15)19(13-21)11-3-4-12-19/h1-2,5-10H,3-4,11-12H2,(H,22,23)
InChIKeyNPJCZPMYQRFMMB-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.41
Rot. Bonds3

About N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide

N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide (PubChem CID 975128) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide
PubChem CID975128
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC NameN-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide
SMILESN#CC1(c2ccc(NC(=O)c3ccccc3F)cc2)CCCC1
InChIInChI=1S/C19H17FN2O/c20-17-6-2-1-5-16(17)18(23)22-15-9-7-14(8-10-15)19(13-21)11-3-4-12-19/h1-2,5-10H,3-4,11-12H2,(H,22,23)
InChIKeyNPJCZPMYQRFMMB-UHFFFAOYSA-N
XLogP4.41
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide (CID 975128) is N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide is N#CC1(c2ccc(NC(=O)c3ccccc3F)cc2)CCCC1.
What is the InChIKey of N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide?
The InChIKey is NPJCZPMYQRFMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-17-6-2-1-5-16(17)18(23)22-15-9-7-14(8-10-15)19(13-21)11-3-4-12-19/h1-2,5-10H,3-4,11-12H2,(H,22,23).
What are the key properties of N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide?
N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide has a molecular weight of 308.36 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyanocyclopentyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 975128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).