ethane;4-methyl-3-nitrobenzamide

C10H14N2O3 — CID 143806264

IUPACethane;4-methyl-3-nitrobenzamide
SMILESCC.Cc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O3.C2H6/c1-5-2-3-6(8(9)11)4-7(5)10(12)13;1-2/h2-4H,1H3,(H2,9,11);1-2H3
InChIKeyLJXPCFHGQXSNRO-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.03
Rot. Bonds2

About ethane;4-methyl-3-nitrobenzamide

ethane;4-methyl-3-nitrobenzamide (PubChem CID 143806264) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethane;4-methyl-3-nitrobenzamide.

Molecular Properties

Compound Nameethane;4-methyl-3-nitrobenzamide
PubChem CID143806264
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethane;4-methyl-3-nitrobenzamide
SMILESCC.Cc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O3.C2H6/c1-5-2-3-6(8(9)11)4-7(5)10(12)13;1-2/h2-4H,1H3,(H2,9,11);1-2H3
InChIKeyLJXPCFHGQXSNRO-UHFFFAOYSA-N
XLogP2.03
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

bis(4-methyl-3-nitrophenyl)methanone
CID 2259929
N-(dimethylaminomethylidene)-4-methyl-3-nitrobenzamide;4-methyl-3-nitrobenzamide
CID 87888858
butane;ethane;ethyl 4-methyl-3-nitrobenzoate
CID 144857600
1-(4-methyl-3-nitrophenyl)propan-1-one
CID 23244249
4-ethyl-3-nitrobenzamide
CID 57169483
(4-carbamoyl-2-nitrophenyl)boronic acid
CID 131396967
4-(3,4-dimethylanilino)-3-nitrobenzamide
CID 4876320
4-[(4-methyl-3-nitrophenyl)methylamino]benzamide
CID 43760410
[(2S)-1-amino-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate
CID 2628577
1-(4-methyl-3-nitrophenyl)butane-1,3-dione
CID 43114764
4-(2-methylanilino)-3-nitrobenzamide
CID 4883898
2-(4-carbamoyl-2-nitrophenyl)acetic acid
CID 4067270

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3-nitrobenzamide?
The IUPAC name of ethane;4-methyl-3-nitrobenzamide (CID 143806264) is ethane;4-methyl-3-nitrobenzamide.
What is the SMILES notation for ethane;4-methyl-3-nitrobenzamide?
The canonical SMILES for ethane;4-methyl-3-nitrobenzamide is CC.Cc1ccc(C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of ethane;4-methyl-3-nitrobenzamide?
The InChIKey is LJXPCFHGQXSNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3.C2H6/c1-5-2-3-6(8(9)11)4-7(5)10(12)13;1-2/h2-4H,1H3,(H2,9,11);1-2H3.
What are the key properties of ethane;4-methyl-3-nitrobenzamide?
ethane;4-methyl-3-nitrobenzamide has a molecular weight of 210.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3-nitrobenzamide is sourced from PubChem (CID 143806264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).