4-hydroxy-N,N-dimethyl-3-nitrobenzamide

C9H10N2O4 — CID 82993461

IUPAC4-hydroxy-N,N-dimethyl-3-nitrobenzamide
SMILESCN(C)C(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O4/c1-10(2)9(13)6-3-4-8(12)7(5-6)11(14)15/h3-5,12H,1-2H3
InChIKeyJRGWGEAHHAFRPC-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.00
Rot. Bonds2

About 4-hydroxy-N,N-dimethyl-3-nitrobenzamide

4-hydroxy-N,N-dimethyl-3-nitrobenzamide (PubChem CID 82993461) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-hydroxy-N,N-dimethyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydroxy-N,N-dimethyl-3-nitrobenzamide
PubChem CID82993461
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name4-hydroxy-N,N-dimethyl-3-nitrobenzamide
SMILESCN(C)C(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O4/c1-10(2)9(13)6-3-4-8(12)7(5-6)11(14)15/h3-5,12H,1-2H3
InChIKeyJRGWGEAHHAFRPC-UHFFFAOYSA-N
XLogP1.00
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-N,N-dimethyl-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethylpropyl)-4-hydroxy-N-methyl-3-nitrobenzamide
CID 75504895
4-ethynyl-N,N-dimethyl-3-nitrobenzamide
CID 57331452
4-hydroxy-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-3-nitrobenzamide
CID 99637269
4-amino-N,N-dimethyl-3,5-dinitrobenzamide
CID 86098772
trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium
CID 57316858
2-[4-(dimethylcarbamoyl)-2-nitroanilino]acetic acid
CID 82989393
3-[2-hydroxypropyl(methyl)amino]-N,N-dimethyl-4-nitrobenzamide
CID 82989102
N,N-dimethyl-3-nitro-4-(pentan-3-ylamino)benzamide
CID 82993205
N,N-dimethyl-3-nitro-4-propoxybenzamide
CID 58723944
4-hydroxy-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methyl-3-nitrobenzamide
CID 99576981
4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-nitrobenzamide
CID 102561315
4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide
CID 82989700

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-dimethyl-3-nitrobenzamide?
The IUPAC name of 4-hydroxy-N,N-dimethyl-3-nitrobenzamide (CID 82993461) is 4-hydroxy-N,N-dimethyl-3-nitrobenzamide.
What is the SMILES notation for 4-hydroxy-N,N-dimethyl-3-nitrobenzamide?
The canonical SMILES for 4-hydroxy-N,N-dimethyl-3-nitrobenzamide is CN(C)C(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-N,N-dimethyl-3-nitrobenzamide?
The InChIKey is JRGWGEAHHAFRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-10(2)9(13)6-3-4-8(12)7(5-6)11(14)15/h3-5,12H,1-2H3.
What are the key properties of 4-hydroxy-N,N-dimethyl-3-nitrobenzamide?
4-hydroxy-N,N-dimethyl-3-nitrobenzamide has a molecular weight of 210.19 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-dimethyl-3-nitrobenzamide is sourced from PubChem (CID 82993461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).