N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide

C21H14F5NO — CID 2169584

IUPACN,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H14F5NO/c22-16-15(17(23)19(25)20(26)18(16)24)21(28)27(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyVNDQUAZXFQWVNT-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.22
Rot. Bonds5

About N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide

N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide (PubChem CID 2169584) has the molecular formula C21H14F5NO and a molecular weight of 391.34 g/mol. Its IUPAC name is N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide
PubChem CID2169584
Molecular FormulaC21H14F5NO
Molecular Weight391.34 g/mol
Exact Mass391.10
IUPAC NameN,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H14F5NO/c22-16-15(17(23)19(25)20(26)18(16)24)21(28)27(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyVNDQUAZXFQWVNT-UHFFFAOYSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide (CID 2169584) is N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide is O=C(c1c(F)c(F)c(F)c(F)c1F)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is VNDQUAZXFQWVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5NO/c22-16-15(17(23)19(25)20(26)18(16)24)21(28)27(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide?
N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 391.34 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 2169584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).