4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide

C18H15FN2O — CID 27831641

IUPAC4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C18H15FN2O/c19-16-7-3-14(4-8-16)12-21(17-9-10-17)18(22)15-5-1-13(11-20)2-6-15/h1-8,17H,9-10,12H2
InChIKeyGANZESJYJAYISW-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.50
Rot. Bonds4

About 4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide

4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 27831641) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID27831641
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C18H15FN2O/c19-16-7-3-14(4-8-16)12-21(17-9-10-17)18(22)15-5-1-13(11-20)2-6-15/h1-8,17H,9-10,12H2
InChIKeyGANZESJYJAYISW-UHFFFAOYSA-N
XLogP3.50
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide (CID 27831641) is 4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide is N#Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1.
What is the InChIKey of 4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is GANZESJYJAYISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-16-7-3-14(4-8-16)12-21(17-9-10-17)18(22)15-5-1-13(11-20)2-6-15/h1-8,17H,9-10,12H2.
What are the key properties of 4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide?
4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 294.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cyclopropyl-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 27831641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).