3-hydroxy-N,N-dimethyl-5-nitrobenzamide

C9H10N2O4 — CID 124705788

IUPAC3-hydroxy-N,N-dimethyl-5-nitrobenzamide
SMILESCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O4/c1-10(2)9(13)6-3-7(11(14)15)5-8(12)4-6/h3-5,12H,1-2H3
InChIKeyBMHPHGHLBLKFBI-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.00
Rot. Bonds2

About 3-hydroxy-N,N-dimethyl-5-nitrobenzamide

3-hydroxy-N,N-dimethyl-5-nitrobenzamide (PubChem CID 124705788) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-5-nitrobenzamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-5-nitrobenzamide
PubChem CID124705788
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name3-hydroxy-N,N-dimethyl-5-nitrobenzamide
SMILESCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O4/c1-10(2)9(13)6-3-7(11(14)15)5-8(12)4-6/h3-5,12H,1-2H3
InChIKeyBMHPHGHLBLKFBI-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'}

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Related Compounds

3,5-dihydroxy-N,N-dimethylbenzamide
CID 103893165
3-methoxy-N,N-dimethyl-5-nitrobenzamide
CID 59352996
tris(3,5-dinitrophenol);samarium
CID 10818480
N-[4-(dimethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 17231135
2-hydroxy-N,N-dimethyl-3,5-dinitrobenzamide
CID 3428904
N-butyl-3-hydroxy-5-nitrobenzamide
CID 125116137
4-amino-N,N-dimethyl-3,5-dinitrobenzamide
CID 86098772
N-[3-(dimethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 17231768
3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol
CID 139845481
N,N-dimethyl-3-morpholin-4-yl-5-nitrobenzamide;3-morpholin-4-yl-5-nitrobenzoic acid
CID 158405345
4-hydroxy-N,N-dimethyl-3-nitrobenzamide
CID 82993461
N-(2,2-dimethoxyethyl)-N-methyl-3,5-dinitrobenzamide
CID 3422148

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethyl-5-nitrobenzamide?
The IUPAC name of 3-hydroxy-N,N-dimethyl-5-nitrobenzamide (CID 124705788) is 3-hydroxy-N,N-dimethyl-5-nitrobenzamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethyl-5-nitrobenzamide?
The canonical SMILES for 3-hydroxy-N,N-dimethyl-5-nitrobenzamide is CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-hydroxy-N,N-dimethyl-5-nitrobenzamide?
The InChIKey is BMHPHGHLBLKFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-10(2)9(13)6-3-7(11(14)15)5-8(12)4-6/h3-5,12H,1-2H3.
What are the key properties of 3-hydroxy-N,N-dimethyl-5-nitrobenzamide?
3-hydroxy-N,N-dimethyl-5-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 3-hydroxy-N,N-dimethyl-5-nitrobenzamide is sourced from PubChem (CID 124705788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).