N-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine

C25H24Cl2F3N3 — CID 67531899

IUPACN-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCC(Cc2ccccc2)C2CNCC2c2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C25H24Cl2F3N3/c26-22-8-6-17(11-23(22)27)20-14-31-15-21(20)18(10-16-4-2-1-3-5-16)12-32-24-9-7-19(13-33-24)25(28,29)30/h1-9,11,13,18,20-21,31H,10,12,14-15H2,(H,32,33)
InChIKeyNJKZVFZWRDWLIS-UHFFFAOYSA-N
MW494.39 g/mol
LogP6.68
Rot. Bonds7

About N-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine

N-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 67531899) has the molecular formula C25H24Cl2F3N3 and a molecular weight of 494.39 g/mol. Its IUPAC name is N-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID67531899
Molecular FormulaC25H24Cl2F3N3
Molecular Weight494.39 g/mol
Exact Mass493.13
IUPAC NameN-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCC(Cc2ccccc2)C2CNCC2c2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C25H24Cl2F3N3/c26-22-8-6-17(11-23(22)27)20-14-31-15-21(20)18(10-16-4-2-1-3-5-16)12-32-24-9-7-19(13-33-24)25(28,29)30/h1-9,11,13,18,20-21,31H,10,12,14-15H2,(H,32,33)
InChIKeyNJKZVFZWRDWLIS-UHFFFAOYSA-N
XLogP6.68
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.39
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine (CID 67531899) is N-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCC(Cc2ccccc2)C2CNCC2c2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of N-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NJKZVFZWRDWLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2F3N3/c26-22-8-6-17(11-23(22)27)20-14-31-15-21(20)18(10-16-4-2-1-3-5-16)12-32-24-9-7-19(13-33-24)25(28,29)30/h1-9,11,13,18,20-21,31H,10,12,14-15H2,(H,32,33).
What are the key properties of N-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 494.39 g/mol, XLogP of 6.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-phenylpropyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 67531899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).