(4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone

C21H18Cl2N2O — CID 72712021

IUPAC(4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncc(-c2ccc(Cl)cc2)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl2N2O/c1-2-11-24-21-19(20(26)15-5-9-18(23)10-6-15)12-16(13-25-21)14-3-7-17(22)8-4-14/h3-10,12-13H,2,11H2,1H3,(H,24,25)
InChIKeyKSVJOORUCYDNPH-UHFFFAOYSA-N
MW385.29 g/mol
LogP6.11
Rot. Bonds6

About (4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone

(4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone (PubChem CID 72712021) has the molecular formula C21H18Cl2N2O and a molecular weight of 385.29 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone
PubChem CID72712021
Molecular FormulaC21H18Cl2N2O
Molecular Weight385.29 g/mol
Exact Mass384.08
IUPAC Name(4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncc(-c2ccc(Cl)cc2)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl2N2O/c1-2-11-24-21-19(20(26)15-5-9-18(23)10-6-15)12-16(13-25-21)14-3-7-17(22)8-4-14/h3-10,12-13H,2,11H2,1H3,(H,24,25)
InChIKeyKSVJOORUCYDNPH-UHFFFAOYSA-N
XLogP6.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone (CID 72712021) is (4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone is CCCNc1ncc(-c2ccc(Cl)cc2)cc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone?
The InChIKey is KSVJOORUCYDNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O/c1-2-11-24-21-19(20(26)15-5-9-18(23)10-6-15)12-16(13-25-21)14-3-7-17(22)8-4-14/h3-10,12-13H,2,11H2,1H3,(H,24,25).
What are the key properties of (4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone?
(4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone has a molecular weight of 385.29 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 72712021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).