(2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone

C20H17Cl2NO2 — CID 151885829

IUPAC(2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone
SMILESCN1C=C(OCc2ccccc2)C(C(=O)c2ccc(Cl)cc2Cl)=CC1
InChIInChI=1S/C20H17Cl2NO2/c1-23-10-9-17(20(24)16-8-7-15(21)11-18(16)22)19(12-23)25-13-14-5-3-2-4-6-14/h2-9,11-12H,10,13H2,1H3
InChIKeySPRMUNPBQGVBMP-UHFFFAOYSA-N
MW374.27 g/mol
LogP5.11
Rot. Bonds5

About (2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone

(2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone (PubChem CID 151885829) has the molecular formula C20H17Cl2NO2 and a molecular weight of 374.27 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone
PubChem CID151885829
Molecular FormulaC20H17Cl2NO2
Molecular Weight374.27 g/mol
Exact Mass373.06
IUPAC Name(2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone
SMILESCN1C=C(OCc2ccccc2)C(C(=O)c2ccc(Cl)cc2Cl)=CC1
InChIInChI=1S/C20H17Cl2NO2/c1-23-10-9-17(20(24)16-8-7-15(21)11-18(16)22)19(12-23)25-13-14-5-3-2-4-6-14/h2-9,11-12H,10,13H2,1H3
InChIKeySPRMUNPBQGVBMP-UHFFFAOYSA-N
XLogP5.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone (CID 151885829) is (2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone is CN1C=C(OCc2ccccc2)C(C(=O)c2ccc(Cl)cc2Cl)=CC1.
What is the InChIKey of (2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone?
The InChIKey is SPRMUNPBQGVBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2/c1-23-10-9-17(20(24)16-8-7-15(21)11-18(16)22)19(12-23)25-13-14-5-3-2-4-6-14/h2-9,11-12H,10,13H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone?
(2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone has a molecular weight of 374.27 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(1-methyl-5-phenylmethoxy-2H-pyridin-4-yl)methanone is sourced from PubChem (CID 151885829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).