methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate

C21H18ClNO3 — CID 69444093

IUPACmethyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H18ClNO3/c1-26-21(25)12-15-2-6-17(7-3-15)18-8-11-20(24)23(14-18)13-16-4-9-19(22)10-5-16/h2-11,14H,12-13H2,1H3
InChIKeyZHKLSJLRBMODER-UHFFFAOYSA-N
MW367.83 g/mol
LogP3.93
Rot. Bonds5

About methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate

methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate (PubChem CID 69444093) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate
PubChem CID69444093
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Namemethyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H18ClNO3/c1-26-21(25)12-15-2-6-17(7-3-15)18-8-11-20(24)23(14-18)13-16-4-9-19(22)10-5-16/h2-11,14H,12-13H2,1H3
InChIKeyZHKLSJLRBMODER-UHFFFAOYSA-N
XLogP3.93
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate with MolForge

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Related Compounds

3-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]-N,N-dimethylpropanamide
CID 69438815
5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
1-[(4-chlorophenyl)methyl]-5-[4-(2-methylpropoxymethyl)phenyl]pyridin-2-one
CID 69443395
1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one
CID 69349835
bis[[4-[1-[(4-chloro-2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methyl] carbonate
CID 91593705
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one
CID 69441224
tert-butyl N-[[4-[1-[(4-chloro-2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]methyl]carbamate
CID 91118872
methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate
CID 71405548
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
CID 27682247

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate (CID 69444093) is methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate is COC(=O)Cc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate?
The InChIKey is ZHKLSJLRBMODER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-26-21(25)12-15-2-6-17(7-3-15)18-8-11-20(24)23(14-18)13-16-4-9-19(22)10-5-16/h2-11,14H,12-13H2,1H3.
What are the key properties of methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate?
methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate has a molecular weight of 367.83 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[1-[(4-chlorophenyl)methyl]-6-oxo-3-pyridinyl]phenyl]acetate is sourced from PubChem (CID 69444093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).