N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide

C11H12N4O6 — CID 102249243

IUPACN-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide
SMILESCC(=O)Nc1c(C)cc([N+](=O)[O-])c(NC(C)=O)c1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O6/c1-5-4-8(14(18)19)10(13-7(3)17)11(15(20)21)9(5)12-6(2)16/h4H,1-3H3,(H,12,16)(H,13,17)
InChIKeyRJGRSIKKFRBXMD-UHFFFAOYSA-N
MW296.24 g/mol
LogP1.73
Rot. Bonds4

About N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide

N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide (PubChem CID 102249243) has the molecular formula C11H12N4O6 and a molecular weight of 296.24 g/mol. Its IUPAC name is N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide
PubChem CID102249243
Molecular FormulaC11H12N4O6
Molecular Weight296.24 g/mol
Exact Mass296.08
IUPAC NameN-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide
SMILESCC(=O)Nc1c(C)cc([N+](=O)[O-])c(NC(C)=O)c1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O6/c1-5-4-8(14(18)19)10(13-7(3)17)11(15(20)21)9(5)12-6(2)16/h4H,1-3H3,(H,12,16)(H,13,17)
InChIKeyRJGRSIKKFRBXMD-UHFFFAOYSA-N
XLogP1.73
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide
CID 75124042
ethyl N-(3,4-dimethyl-2,6-dinitrophenyl)carbamate
CID 23335980
N-(3-acetamido-5-fluoro-2,4,6-trinitrophenyl)acetamide
CID 12577939
4-acetamido-3-chloro-5-nitrobenzoic acid
CID 154365405
N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide
CID 12622271
N-(2,4-dimethyl-6-nitrophenyl)propanamide
CID 66522913
N-(3,4,6-trichloro-2-nitrophenyl)acetamide
CID 4582781
1-(4,5-dimethyl-2-nitrophenyl)ethanone
CID 18739842
N-(3,6-dichloro-2-nitrophenyl)acetamide
CID 70604003
N-[6-chloro-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide
CID 131861925
3-acetamido-5-amino-4-methyl-2-nitrobenzoic acid
CID 3860825
4-acetamido-3-iodo-5-nitrobenzenesulfonic acid
CID 89217017

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide?
The IUPAC name of N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide (CID 102249243) is N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide.
What is the SMILES notation for N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide?
The canonical SMILES for N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide is CC(=O)Nc1c(C)cc([N+](=O)[O-])c(NC(C)=O)c1[N+](=O)[O-].
What is the InChIKey of N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide?
The InChIKey is RJGRSIKKFRBXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O6/c1-5-4-8(14(18)19)10(13-7(3)17)11(15(20)21)9(5)12-6(2)16/h4H,1-3H3,(H,12,16)(H,13,17).
What are the key properties of N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide?
N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide has a molecular weight of 296.24 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide is sourced from PubChem (CID 102249243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).