methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate

C20H11Cl2F2NO4 — CID 69225944

IUPACmethyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate
SMILESCOC(=O)c1cc(Cl)c(-n2cc(C(=O)c3ccc(F)cc3F)ccc2=O)c(Cl)c1
InChIInChI=1S/C20H11Cl2F2NO4/c1-29-20(28)11-6-14(21)18(15(22)7-11)25-9-10(2-5-17(25)26)19(27)13-4-3-12(23)8-16(13)24/h2-9H,1H3
InChIKeySMFRMBUPCXJMNB-UHFFFAOYSA-N
MW438.21 g/mol
LogP4.44
Rot. Bonds4

About methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate

methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate (PubChem CID 69225944) has the molecular formula C20H11Cl2F2NO4 and a molecular weight of 438.21 g/mol. Its IUPAC name is methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate.

Molecular Properties

Compound Namemethyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate
PubChem CID69225944
Molecular FormulaC20H11Cl2F2NO4
Molecular Weight438.21 g/mol
Exact Mass437.00
IUPAC Namemethyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate
SMILESCOC(=O)c1cc(Cl)c(-n2cc(C(=O)c3ccc(F)cc3F)ccc2=O)c(Cl)c1
InChIInChI=1S/C20H11Cl2F2NO4/c1-29-20(28)11-6-14(21)18(15(22)7-11)25-9-10(2-5-17(25)26)19(27)13-4-3-12(23)8-16(13)24/h2-9H,1H3
InChIKeySMFRMBUPCXJMNB-UHFFFAOYSA-N
XLogP4.44
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.21
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate with MolForge

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Related Compounds

1-(2,6-dichlorophenyl)-5-(4-fluoro-2-methylbenzoyl)pyridin-2-one
CID 69242900
methyl 4-(2-chloro-4-fluorobenzoyl)benzoate
CID 175059139
2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide
CID 87740071
5-[N-(1-acetylpiperidin-4-yl)oxy-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one
CID 91580154
1-[2,6-dichloro-4-(methoxymethyl)phenyl]-5-[(Z)-C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one
CID 87740148
1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one
CID 87741793
1-[2,6-dichloro-4-[(dimethylamino)methyl]phenyl]-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one
CID 87749144
methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate
CID 163348793
methyl 4-[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl]benzoate
CID 17391085
1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one
CID 140546313
1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one
CID 74337376
methyl 4-chloro-6-fluoronaphthalene-2-carboxylate
CID 90487890

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate?
The IUPAC name of methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate (CID 69225944) is methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate.
What is the SMILES notation for methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate?
The canonical SMILES for methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate is COC(=O)c1cc(Cl)c(-n2cc(C(=O)c3ccc(F)cc3F)ccc2=O)c(Cl)c1.
What is the InChIKey of methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate?
The InChIKey is SMFRMBUPCXJMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F2NO4/c1-29-20(28)11-6-14(21)18(15(22)7-11)25-9-10(2-5-17(25)26)19(27)13-4-3-12(23)8-16(13)24/h2-9H,1H3.
What are the key properties of methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate?
methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate has a molecular weight of 438.21 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate is sourced from PubChem (CID 69225944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).