4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide

C18H17FN2O2 — CID 42572241

IUPAC4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O2/c19-16-7-9-17(10-8-16)23-12-2-1-11-21-18(22)15-5-3-14(13-20)4-6-15/h3-10H,1-2,11-12H2,(H,21,22)
InChIKeyWBBDOLUFXLAEBR-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.29
Rot. Bonds7

About 4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide

4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide (PubChem CID 42572241) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
PubChem CID42572241
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O2/c19-16-7-9-17(10-8-16)23-12-2-1-11-21-18(22)15-5-3-14(13-20)4-6-15/h3-10H,1-2,11-12H2,(H,21,22)
InChIKeyWBBDOLUFXLAEBR-UHFFFAOYSA-N
XLogP3.29
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 51260411
N-[4-(4-fluorophenoxy)butyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 32644150
N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
CID 42123150
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572169
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991
4-cyano-N-decylbenzamide
CID 14179073
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 32645882

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide?
The IUPAC name of 4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide (CID 42572241) is 4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide?
The canonical SMILES for 4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide is N#Cc1ccc(C(=O)NCCCCOc2ccc(F)cc2)cc1.
What is the InChIKey of 4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide?
The InChIKey is WBBDOLUFXLAEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-16-7-9-17(10-8-16)23-12-2-1-11-21-18(22)15-5-3-14(13-20)4-6-15/h3-10H,1-2,11-12H2,(H,21,22).
What are the key properties of 4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide?
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide has a molecular weight of 312.34 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide is sourced from PubChem (CID 42572241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).