N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide

C24H21FN4O2 — CID 118391524

IUPACN-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide
SMILESCN(Cc1ccc(F)cc1)c1cc(-c2cccc(C(=O)NC3CC3)c2)cc2nonc12
InChIInChI=1S/C24H21FN4O2/c1-29(14-15-5-7-19(25)8-6-15)22-13-18(12-21-23(22)28-31-27-21)16-3-2-4-17(11-16)24(30)26-20-9-10-20/h2-8,11-13,20H,9-10,14H2,1H3,(H,26,30)
InChIKeyCUPFPCCNLINIIT-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.56
Rot. Bonds6

About N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide

N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide (PubChem CID 118391524) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide
PubChem CID118391524
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide
SMILESCN(Cc1ccc(F)cc1)c1cc(-c2cccc(C(=O)NC3CC3)c2)cc2nonc12
InChIInChI=1S/C24H21FN4O2/c1-29(14-15-5-7-19(25)8-6-15)22-13-18(12-21-23(22)28-31-27-21)16-3-2-4-17(11-16)24(30)26-20-9-10-20/h2-8,11-13,20H,9-10,14H2,1H3,(H,26,30)
InChIKeyCUPFPCCNLINIIT-UHFFFAOYSA-N
XLogP4.56
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide (CID 118391524) is N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide is CN(Cc1ccc(F)cc1)c1cc(-c2cccc(C(=O)NC3CC3)c2)cc2nonc12.
What is the InChIKey of N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide?
The InChIKey is CUPFPCCNLINIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-29(14-15-5-7-19(25)8-6-15)22-13-18(12-21-23(22)28-31-27-21)16-3-2-4-17(11-16)24(30)26-20-9-10-20/h2-8,11-13,20H,9-10,14H2,1H3,(H,26,30).
What are the key properties of N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide?
N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide has a molecular weight of 416.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]benzamide is sourced from PubChem (CID 118391524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).