methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate

C20H15F2N3O3 — CID 109222267

IUPACmethyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H15F2N3O3/c1-28-20(27)14-4-2-3-5-17(14)24-13-8-9-23-18(11-13)19(26)25-12-6-7-15(21)16(22)10-12/h2-11H,1H3,(H,23,24)(H,25,26)
InChIKeyHIAYBHCQHFEJQU-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.14
Rot. Bonds5

About methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate

methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate (PubChem CID 109222267) has the molecular formula C20H15F2N3O3 and a molecular weight of 383.35 g/mol. Its IUPAC name is methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
PubChem CID109222267
Molecular FormulaC20H15F2N3O3
Molecular Weight383.35 g/mol
Exact Mass383.11
IUPAC Namemethyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C20H15F2N3O3/c1-28-20(27)14-4-2-3-5-17(14)24-13-8-9-23-18(11-13)19(26)25-12-6-7-15(21)16(22)10-12/h2-11H,1H3,(H,23,24)(H,25,26)
InChIKeyHIAYBHCQHFEJQU-UHFFFAOYSA-N
XLogP4.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221037
methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220818
methyl 2-[[2-[(5-chloro-2-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221157
methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220370
methyl 2-[[2-(3,4-difluoroanilino)-2-oxoacetyl]amino]benzoate
CID 108987505
methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate
CID 108992340
ethyl 4-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222573
methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109093237
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206385
methyl 2-[[2-(3-phenylpropylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109216657
ethyl 2-[[4-[(3,4-difluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109179002

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate (CID 109222267) is methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The InChIKey is HIAYBHCQHFEJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O3/c1-28-20(27)14-4-2-3-5-17(14)24-13-8-9-23-18(11-13)19(26)25-12-6-7-15(21)16(22)10-12/h2-11H,1H3,(H,23,24)(H,25,26).
What are the key properties of methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate has a molecular weight of 383.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 109222267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).