N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide

C14H11F2NO4 — CID 103955493

IUPACN-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide
SMILESO=C(Nc1ccccc1OC(F)F)c1ccc(O)c(O)c1
InChIInChI=1S/C14H11F2NO4/c15-14(16)21-12-4-2-1-3-9(12)17-13(20)8-5-6-10(18)11(19)7-8/h1-7,14,18-19H,(H,17,20)
InChIKeyPESUKHXSYNNPIU-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.95
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide

N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide (PubChem CID 103955493) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide
PubChem CID103955493
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC NameN-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide
SMILESO=C(Nc1ccccc1OC(F)F)c1ccc(O)c(O)c1
InChIInChI=1S/C14H11F2NO4/c15-14(16)21-12-4-2-1-3-9(12)17-13(20)8-5-6-10(18)11(19)7-8/h1-7,14,18-19H,(H,17,20)
InChIKeyPESUKHXSYNNPIU-UHFFFAOYSA-N
XLogP2.95
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(difluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 953096
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
CID 1256588
N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide
CID 934563
3,4-dihydroxy-N-(2-iodophenyl)benzamide
CID 103956209
N-[2-(difluoromethoxy)phenyl]-4-methylsulfanyl-3-nitrobenzamide
CID 2671084
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
N-[2-(difluoromethoxy)phenyl]-4-phenylmethoxybenzamide
CID 2953331
N-[2-(difluoromethoxy)phenyl]-5-phenylpyridine-3-carboxamide
CID 174627976
N-[2-(difluoromethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51145660
N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide
CID 2067465

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide (CID 103955493) is N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide is O=C(Nc1ccccc1OC(F)F)c1ccc(O)c(O)c1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide?
The InChIKey is PESUKHXSYNNPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4/c15-14(16)21-12-4-2-1-3-9(12)17-13(20)8-5-6-10(18)11(19)7-8/h1-7,14,18-19H,(H,17,20).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide?
N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide has a molecular weight of 295.24 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide is sourced from PubChem (CID 103955493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).