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

C11H13N3O5 — CID 175913028

IUPAC2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide
SMILESCC(=O)Nc1c(O)cc([N+](=O)[O-])cc1C(=O)N(C)C
InChIInChI=1S/C11H13N3O5/c1-6(15)12-10-8(11(17)13(2)3)4-7(14(18)19)5-9(10)16/h4-5,16H,1-3H3,(H,12,15)
InChIKeyMYWWTVKXHIJYFO-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.96
Rot. Bonds3

About 2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide

2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide (PubChem CID 175913028) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide
PubChem CID175913028
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide
SMILESCC(=O)Nc1c(O)cc([N+](=O)[O-])cc1C(=O)N(C)C
InChIInChI=1S/C11H13N3O5/c1-6(15)12-10-8(11(17)13(2)3)4-7(14(18)19)5-9(10)16/h4-5,16H,1-3H3,(H,12,15)
InChIKeyMYWWTVKXHIJYFO-UHFFFAOYSA-N
XLogP0.96
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-acetamido-3-hydroxy-N,N-dimethyl-5-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

2-hydroxy-N,N-dimethyl-3,5-dinitrobenzamide
CID 3428904
2-fluoro-N,N,3-trimethyl-5-nitrobenzamide
CID 103297077
5-nitrobenzene-1,2,3-triol
CID 19910425
3-hydroxy-N,N-dimethyl-5-nitrobenzamide
CID 124705788
2,5-dinitrobenzene-1,3-diol
CID 89183388
N-[4-(dimethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 17231135
N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide
CID 163233093
N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide
CID 163233140
N'-acetyl-2-hydroxy-5-nitrobenzohydrazide
CID 102383620
N-[2,6-di(propan-2-yl)phenyl]acetamide;N-[4-nitro-2,6-di(propan-2-yl)phenyl]acetamide
CID 158896077
2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide
CID 86798485
N,N-dimethyl-5-nitro-2-propylsulfanylbenzamide
CID 84599436

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide?
The IUPAC name of 2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide (CID 175913028) is 2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide.
What is the SMILES notation for 2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide?
The canonical SMILES for 2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide is CC(=O)Nc1c(O)cc([N+](=O)[O-])cc1C(=O)N(C)C.
What is the InChIKey of 2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide?
The InChIKey is MYWWTVKXHIJYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-6(15)12-10-8(11(17)13(2)3)4-7(14(18)19)5-9(10)16/h4-5,16H,1-3H3,(H,12,15).
What are the key properties of 2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide?
2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide has a molecular weight of 267.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-hydroxy-N,N-dimethyl-5-nitrobenzamide is sourced from PubChem (CID 175913028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).