3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide

C15H12F2N2O4 — CID 164610296

IUPAC3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide
SMILESO=C(NO)c1cccc(C(=O)NOCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H12F2N2O4/c16-12-5-4-9(6-13(12)17)8-23-19-15(21)11-3-1-2-10(7-11)14(20)18-22/h1-7,22H,8H2,(H,18,20)(H,19,21)
InChIKeyNTTHQMTXQDXRSI-UHFFFAOYSA-N
MW322.27 g/mol
LogP1.95
Rot. Bonds5

About 3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide

3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide (PubChem CID 164610296) has the molecular formula C15H12F2N2O4 and a molecular weight of 322.27 g/mol. Its IUPAC name is 3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide
PubChem CID164610296
Molecular FormulaC15H12F2N2O4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC Name3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide
SMILESO=C(NO)c1cccc(C(=O)NOCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H12F2N2O4/c16-12-5-4-9(6-13(12)17)8-23-19-15(21)11-3-1-2-10(7-11)14(20)18-22/h1-7,22H,8H2,(H,18,20)(H,19,21)
InChIKeyNTTHQMTXQDXRSI-UHFFFAOYSA-N
XLogP1.95
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide (CID 164610296) is 3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide is O=C(NO)c1cccc(C(=O)NOCc2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is NTTHQMTXQDXRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O4/c16-12-5-4-9(6-13(12)17)8-23-19-15(21)11-3-1-2-10(7-11)14(20)18-22/h1-7,22H,8H2,(H,18,20)(H,19,21).
What are the key properties of 3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide?
3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide has a molecular weight of 322.27 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3,4-difluorophenyl)methoxy]-1-N-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 164610296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).