[4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone

C24H21ClF2N2O — CID 126602273

IUPAC[4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESNc1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C24H21ClF2N2O/c25-20-3-1-2-19(14-20)21-15-18(8-9-22(21)28)16-4-6-17(7-5-16)23(30)29-12-10-24(26,27)11-13-29/h1-9,14-15H,10-13,28H2
InChIKeyGGSYPPBDZOIBPA-UHFFFAOYSA-N
MW426.89 g/mol
LogP6.13
Rot. Bonds3

About [4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone

[4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 126602273) has the molecular formula C24H21ClF2N2O and a molecular weight of 426.89 g/mol. Its IUPAC name is [4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID126602273
Molecular FormulaC24H21ClF2N2O
Molecular Weight426.89 g/mol
Exact Mass426.13
IUPAC Name[4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESNc1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C24H21ClF2N2O/c25-20-3-1-2-19(14-20)21-15-18(8-9-22(21)28)16-4-6-17(7-5-16)23(30)29-12-10-24(26,27)11-13-29/h1-9,14-15H,10-13,28H2
InChIKeyGGSYPPBDZOIBPA-UHFFFAOYSA-N
XLogP6.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.89
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone (CID 126602273) is [4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone is Nc1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of [4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is GGSYPPBDZOIBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF2N2O/c25-20-3-1-2-19(14-20)21-15-18(8-9-22(21)28)16-4-6-17(7-5-16)23(30)29-12-10-24(26,27)11-13-29/h1-9,14-15H,10-13,28H2.
What are the key properties of [4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone?
[4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 426.89 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-3-(3-chlorophenyl)phenyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 126602273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).