benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide

C23H23N5O6 — CID 157113286

IUPACbenzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide
SMILESNC(=O)c1ccc(C(N)=O)cc1.NC(=O)c1ccc(O)cc1.NC(=O)c1ccccc1C(N)=O
InChIInChI=1S/2C8H8N2O2.C7H7NO2/c9-7(11)5-1-2-6(4-3-5)8(10)12;9-7(11)5-3-1-2-4-6(5)8(10)12;8-7(10)5-1-3-6(9)4-2-5/h2*1-4H,(H2,9,11)(H2,10,12);1-4,9H,(H2,8,10)
InChIKeyAHCDPMIGRBHGMA-UHFFFAOYSA-N
MW465.47 g/mol
LogP0.26
Rot. Bonds5

About benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide

benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide (PubChem CID 157113286) has the molecular formula C23H23N5O6 and a molecular weight of 465.47 g/mol. Its IUPAC name is benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide.

Molecular Properties

Compound Namebenzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide
PubChem CID157113286
Molecular FormulaC23H23N5O6
Molecular Weight465.47 g/mol
Exact Mass465.16
IUPAC Namebenzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide
SMILESNC(=O)c1ccc(C(N)=O)cc1.NC(=O)c1ccc(O)cc1.NC(=O)c1ccccc1C(N)=O
InChIInChI=1S/2C8H8N2O2.C7H7NO2/c9-7(11)5-1-2-6(4-3-5)8(10)12;9-7(11)5-3-1-2-4-6(5)8(10)12;8-7(10)5-1-3-6(9)4-2-5/h2*1-4H,(H2,9,11)(H2,10,12);1-4,9H,(H2,8,10)
InChIKeyAHCDPMIGRBHGMA-UHFFFAOYSA-N
XLogP0.26
TPSA235.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.47
LogP ≤ 50.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-chlorobenzamide;4-hydroxybenzoic acid
CID 174910678
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
4-(4-hydroxyphenoxy)benzamide
CID 60869896
benzene;2-hydroxybenzamide
CID 157085280
2-methylbenzamide;phenol
CID 160508327
CID 67738089
CID 67738089
benzamide;hydron
CID 68819060
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
2-carbamoylbenzoate
CID 3373391

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide?
The IUPAC name of benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide (CID 157113286) is benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide.
What is the SMILES notation for benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide?
The canonical SMILES for benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide is NC(=O)c1ccc(C(N)=O)cc1.NC(=O)c1ccc(O)cc1.NC(=O)c1ccccc1C(N)=O.
What is the InChIKey of benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide?
The InChIKey is AHCDPMIGRBHGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8N2O2.C7H7NO2/c9-7(11)5-1-2-6(4-3-5)8(10)12;9-7(11)5-3-1-2-4-6(5)8(10)12;8-7(10)5-1-3-6(9)4-2-5/h2*1-4H,(H2,9,11)(H2,10,12);1-4,9H,(H2,8,10).
What are the key properties of benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide?
benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide has a molecular weight of 465.47 g/mol, XLogP of 0.26, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide is sourced from PubChem (CID 157113286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).