N-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide

C23H18F2N2O — CID 11976769

IUPACN-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18F2N2O/c24-20-9-5-17(6-10-20)22(18-7-11-21(25)12-8-18)13-14-27-23(28)19-3-1-16(15-26)2-4-19/h1-12,22H,13-14H2,(H,27,28)
InChIKeyXUNPXNDSXXMFSK-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.79
Rot. Bonds6

About N-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide

N-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide (PubChem CID 11976769) has the molecular formula C23H18F2N2O and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide
PubChem CID11976769
Molecular FormulaC23H18F2N2O
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18F2N2O/c24-20-9-5-17(6-10-20)22(18-7-11-21(25)12-8-18)13-14-27-23(28)19-3-1-16(15-26)2-4-19/h1-12,22H,13-14H2,(H,27,28)
InChIKeyXUNPXNDSXXMFSK-UHFFFAOYSA-N
XLogP4.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide?
The IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide (CID 11976769) is N-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide.
What is the SMILES notation for N-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide?
The canonical SMILES for N-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide is N#Cc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide?
The InChIKey is XUNPXNDSXXMFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O/c24-20-9-5-17(6-10-20)22(18-7-11-21(25)12-8-18)13-14-27-23(28)19-3-1-16(15-26)2-4-19/h1-12,22H,13-14H2,(H,27,28).
What are the key properties of N-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide?
N-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide has a molecular weight of 376.41 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-fluorophenyl)propyl]-4-cyanobenzamide is sourced from PubChem (CID 11976769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).