2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide

C11H14N2O4 — CID 22289979

IUPAC2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(N)=O)c1CC(O)CO
InChIInChI=1S/C11H14N2O4/c12-10(16)7-2-1-3-8(11(13)17)9(7)4-6(15)5-14/h1-3,6,14-15H,4-5H2,(H2,12,16)(H2,13,17)
InChIKeyIIHOIAOMFRCCKR-UHFFFAOYSA-N
MW238.24 g/mol
LogP-1.22
Rot. Bonds5

About 2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide

2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide (PubChem CID 22289979) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
PubChem CID22289979
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(N)=O)c1CC(O)CO
InChIInChI=1S/C11H14N2O4/c12-10(16)7-2-1-3-8(11(13)17)9(7)4-6(15)5-14/h1-3,6,14-15H,4-5H2,(H2,12,16)(H2,13,17)
InChIKeyIIHOIAOMFRCCKR-UHFFFAOYSA-N
XLogP-1.22
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide?
The IUPAC name of 2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide (CID 22289979) is 2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(N)=O)c1CC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide?
The InChIKey is IIHOIAOMFRCCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c12-10(16)7-2-1-3-8(11(13)17)9(7)4-6(15)5-14/h1-3,6,14-15H,4-5H2,(H2,12,16)(H2,13,17).
What are the key properties of 2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide?
2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide has a molecular weight of 238.24 g/mol, XLogP of -1.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 22289979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).