methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate

C15H11F2NO4 — CID 78358043

IUPACmethyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)c(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C15H11F2NO4/c1-22-15(21)8-5-6-12(19)9(7-8)14(20)18-13-10(16)3-2-4-11(13)17/h2-7,19H,1H3,(H,18,20)
InChIKeyQJQCLBBKRPEVLI-UHFFFAOYSA-N
MW307.25 g/mol
LogP2.71
Rot. Bonds3

About methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate

methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate (PubChem CID 78358043) has the molecular formula C15H11F2NO4 and a molecular weight of 307.25 g/mol. Its IUPAC name is methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate
PubChem CID78358043
Molecular FormulaC15H11F2NO4
Molecular Weight307.25 g/mol
Exact Mass307.07
IUPAC Namemethyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)c(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C15H11F2NO4/c1-22-15(21)8-5-6-12(19)9(7-8)14(20)18-13-10(16)3-2-4-11(13)17/h2-7,19H,1H3,(H,18,20)
InChIKeyQJQCLBBKRPEVLI-UHFFFAOYSA-N
XLogP2.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956615
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
N-(2,6-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888059
N-(2-chloro-6-fluorophenyl)-3,4-dihydroxybenzamide
CID 107728554
2,2-dimethylpropane;ethane;methyl 3-fluoro-4-hydroxybenzoate
CID 144796029
[(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium
CID 169143867
N-(3-fluoro-2-methylphenyl)-2,5-dihydroxybenzamide
CID 103892630
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
N-(2,6-difluorophenyl)-2-fluoro-5-methylbenzamide
CID 62508684
N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide
CID 107723516
methyl 4-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 26417367
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate
CID 40882857

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate?
The IUPAC name of methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate (CID 78358043) is methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate.
What is the SMILES notation for methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate?
The canonical SMILES for methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate is COC(=O)c1ccc(O)c(C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate?
The InChIKey is QJQCLBBKRPEVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO4/c1-22-15(21)8-5-6-12(19)9(7-8)14(20)18-13-10(16)3-2-4-11(13)17/h2-7,19H,1H3,(H,18,20).
What are the key properties of methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate?
methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate has a molecular weight of 307.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,6-difluorophenyl)carbamoyl]-4-hydroxybenzoate is sourced from PubChem (CID 78358043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).