1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine

C24H22Cl2F2N2 — CID 141041542

IUPAC1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine
SMILESFc1cc(F)cc(CCNC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C24H22Cl2F2N2/c25-19-5-1-17(2-6-19)24(18-3-7-20(26)8-4-18)30-14-23(15-30)29-10-9-16-11-21(27)13-22(28)12-16/h1-8,11-13,23-24,29H,9-10,14-15H2
InChIKeyNGKBCRRIZQYWID-UHFFFAOYSA-N
MW447.36 g/mol
LogP5.88
Rot. Bonds7

About 1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine

1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine (PubChem CID 141041542) has the molecular formula C24H22Cl2F2N2 and a molecular weight of 447.36 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine
PubChem CID141041542
Molecular FormulaC24H22Cl2F2N2
Molecular Weight447.36 g/mol
Exact Mass446.11
IUPAC Name1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine
SMILESFc1cc(F)cc(CCNC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C24H22Cl2F2N2/c25-19-5-1-17(2-6-19)24(18-3-7-20(26)8-4-18)30-14-23(15-30)29-10-9-16-11-21(27)13-22(28)12-16/h1-8,11-13,23-24,29H,9-10,14-15H2
InChIKeyNGKBCRRIZQYWID-UHFFFAOYSA-N
XLogP5.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.36
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine?
The IUPAC name of 1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine (CID 141041542) is 1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine?
The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine is Fc1cc(F)cc(CCNC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine?
The InChIKey is NGKBCRRIZQYWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2F2N2/c25-19-5-1-17(2-6-19)24(18-3-7-20(26)8-4-18)30-14-23(15-30)29-10-9-16-11-21(27)13-22(28)12-16/h1-8,11-13,23-24,29H,9-10,14-15H2.
What are the key properties of 1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine?
1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine has a molecular weight of 447.36 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methyl]-N-[2-(3,5-difluorophenyl)ethyl]azetidin-3-amine is sourced from PubChem (CID 141041542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).