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

C9H10N2O3 — CID 70473851

IUPAC2-(hydroxymethyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(N)=O)c1CO
InChIInChI=1S/C9H10N2O3/c10-8(13)5-2-1-3-6(9(11)14)7(5)4-12/h1-3,12H,4H2,(H2,10,13)(H2,11,14)
InChIKeyHLRFGECLGAFWQX-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.62
Rot. Bonds3

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

2-(hydroxymethyl)benzene-1,3-dicarboxamide (PubChem CID 70473851) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)benzene-1,3-dicarboxamide
PubChem CID70473851
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(hydroxymethyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(N)=O)c1CO
InChIInChI=1S/C9H10N2O3/c10-8(13)5-2-1-3-6(9(11)14)7(5)4-12/h1-3,12H,4H2,(H2,10,13)(H2,11,14)
InChIKeyHLRFGECLGAFWQX-UHFFFAOYSA-N
XLogP-0.62
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diethylbenzamide;hydrofluoride
CID 175203586
2-prop-2-enylbenzene-1,3-dicarboxamide
CID 67682969
2-hydroxybenzene-1,3-dicarboxamide
CID 22594874
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
3-bromo-2-propylbenzamide
CID 69458474
2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide
CID 175573455
CID 129133768
CID 129133768
2-benzyl-3-chlorobenzamide
CID 23225157
2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide
CID 69180819
2,3-bis(2-methoxyethyl)benzamide
CID 140931342

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 2-(hydroxymethyl)benzene-1,3-dicarboxamide (CID 70473851) is 2-(hydroxymethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-(hydroxymethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2-(hydroxymethyl)benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(N)=O)c1CO.
What is the InChIKey of 2-(hydroxymethyl)benzene-1,3-dicarboxamide?
The InChIKey is HLRFGECLGAFWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-8(13)5-2-1-3-6(9(11)14)7(5)4-12/h1-3,12H,4H2,(H2,10,13)(H2,11,14).
What are the key properties of 2-(hydroxymethyl)benzene-1,3-dicarboxamide?
2-(hydroxymethyl)benzene-1,3-dicarboxamide has a molecular weight of 194.19 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 70473851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).