methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate

C15H12F2N2O4 — CID 56824300

IUPACmethyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ncccc2OC(F)F)cc1
InChIInChI=1S/C15H12F2N2O4/c1-22-14(21)10-6-4-9(5-7-10)13(20)19-12-11(23-15(16)17)3-2-8-18-12/h2-8,15H,1H3,(H,18,19,20)
InChIKeyXGKLGFJNFNREHH-UHFFFAOYSA-N
MW322.27 g/mol
LogP2.72
Rot. Bonds5

About methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate

methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate (PubChem CID 56824300) has the molecular formula C15H12F2N2O4 and a molecular weight of 322.27 g/mol. Its IUPAC name is methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate
PubChem CID56824300
Molecular FormulaC15H12F2N2O4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC Namemethyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ncccc2OC(F)F)cc1
InChIInChI=1S/C15H12F2N2O4/c1-22-14(21)10-6-4-9(5-7-10)13(20)19-12-11(23-15(16)17)3-2-8-18-12/h2-8,15H,1H3,(H,18,19,20)
InChIKeyXGKLGFJNFNREHH-UHFFFAOYSA-N
XLogP2.72
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032050
dimethyl 2-[3-(difluoromethoxy)-2-pyridinyl]propanedioate
CID 155210458
N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 56824296
N-(3-hydroxy-2-pyridinyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 46663784
N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946
N-(3-hydroxy-2-pyridinyl)-4-propan-2-ylbenzamide
CID 25333159
methyl 4-[(7-methylquinolin-8-yl)carbamoyl]benzoate
CID 164511154
3-(difluoromethoxy)-4-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 55758386
4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide
CID 71847600
methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate
CID 53485391
methyl 3-[[3-(difluoromethoxy)-2-pyridinyl]amino]-5-fluoroquinoline-8-carboxylate
CID 126739007
dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
CID 2682917

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate (CID 56824300) is methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ncccc2OC(F)F)cc1.
What is the InChIKey of methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate?
The InChIKey is XGKLGFJNFNREHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O4/c1-22-14(21)10-6-4-9(5-7-10)13(20)19-12-11(23-15(16)17)3-2-8-18-12/h2-8,15H,1H3,(H,18,19,20).
What are the key properties of methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate?
methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate has a molecular weight of 322.27 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate is sourced from PubChem (CID 56824300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).