methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate

C22H18ClFN2O4 — CID 18582561

IUPACmethyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O
InChIInChI=1S/C22H18ClFN2O4/c1-25(19-11-4-3-7-14(19)22(29)30-2)20(27)15-8-6-12-26(21(15)28)13-16-17(23)9-5-10-18(16)24/h3-12H,13H2,1-2H3
InChIKeyUPCZILUYRUIPGN-UHFFFAOYSA-N
MW428.85 g/mol
LogP3.75
Rot. Bonds5

About methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate

methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate (PubChem CID 18582561) has the molecular formula C22H18ClFN2O4 and a molecular weight of 428.85 g/mol. Its IUPAC name is methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate
PubChem CID18582561
Molecular FormulaC22H18ClFN2O4
Molecular Weight428.85 g/mol
Exact Mass428.09
IUPAC Namemethyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O
InChIInChI=1S/C22H18ClFN2O4/c1-25(19-11-4-3-7-14(19)22(29)30-2)20(27)15-8-6-12-26(21(15)28)13-16-17(23)9-5-10-18(16)24/h3-12H,13H2,1-2H3
InChIKeyUPCZILUYRUIPGN-UHFFFAOYSA-N
XLogP3.75
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.85
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate with MolForge

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Related Compounds

methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]benzoate
CID 114933153
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3,4-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598199
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-chloro-4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598223
1-[(2-chloro-6-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598234
2-O-[(2-chloro-6-fluorophenyl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504991
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide
CID 18582557
methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate
CID 43423137
methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate
CID 43996083
methyl 2-[(4-chloro-3-fluorophenyl)methyl-methylamino]benzoate
CID 107885982
2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid
CID 81454401
1-[(2,6-dichlorophenyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017917

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate?
The IUPAC name of methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate (CID 18582561) is methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate.
What is the SMILES notation for methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate?
The canonical SMILES for methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate is COC(=O)c1ccccc1N(C)C(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O.
What is the InChIKey of methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate?
The InChIKey is UPCZILUYRUIPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O4/c1-25(19-11-4-3-7-14(19)22(29)30-2)20(27)15-8-6-12-26(21(15)28)13-16-17(23)9-5-10-18(16)24/h3-12H,13H2,1-2H3.
What are the key properties of methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate?
methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate has a molecular weight of 428.85 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]-methylamino]benzoate is sourced from PubChem (CID 18582561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).