N-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide

C25H21ClF5NO — CID 162659636

IUPACN-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide
SMILESO=C(NCCCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C25H21ClF5NO/c26-23-13-8-18(15-22(23)25(29,30)31)24(33)32-14-2-1-3-21(16-4-9-19(27)10-5-16)17-6-11-20(28)12-7-17/h4-13,15,21H,1-3,14H2,(H,32,33)
InChIKeyVNYGZGHPGXQMGV-UHFFFAOYSA-N
MW481.89 g/mol
LogP7.37
Rot. Bonds8

About N-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide

N-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide (PubChem CID 162659636) has the molecular formula C25H21ClF5NO and a molecular weight of 481.89 g/mol. Its IUPAC name is N-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide
PubChem CID162659636
Molecular FormulaC25H21ClF5NO
Molecular Weight481.89 g/mol
Exact Mass481.12
IUPAC NameN-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide
SMILESO=C(NCCCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C25H21ClF5NO/c26-23-13-8-18(15-22(23)25(29,30)31)24(33)32-14-2-1-3-21(16-4-9-19(27)10-5-16)17-6-11-20(28)12-7-17/h4-13,15,21H,1-3,14H2,(H,32,33)
InChIKeyVNYGZGHPGXQMGV-UHFFFAOYSA-N
XLogP7.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.89
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide (CID 162659636) is N-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide is O=C(NCCCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide?
The InChIKey is VNYGZGHPGXQMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF5NO/c26-23-13-8-18(15-22(23)25(29,30)31)24(33)32-14-2-1-3-21(16-4-9-19(27)10-5-16)17-6-11-20(28)12-7-17/h4-13,15,21H,1-3,14H2,(H,32,33).
What are the key properties of N-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide?
N-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide has a molecular weight of 481.89 g/mol, XLogP of 7.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,5-bis(4-fluorophenyl)pentyl]-4-chloro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 162659636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).