N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide

C14H10N4O7 — CID 4674199

IUPACN-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cccc1[N+](=O)[O-]
InChIInChI=1S/C14H10N4O7/c1-8-10(3-2-4-12(8)17(22)23)14(19)15-11-6-5-9(16(20)21)7-13(11)18(24)25/h2-7H,1H3,(H,15,19)
InChIKeyMSNIYVQDOFVFMY-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.97
Rot. Bonds5

About N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide

N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide (PubChem CID 4674199) has the molecular formula C14H10N4O7 and a molecular weight of 346.26 g/mol. Its IUPAC name is N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
PubChem CID4674199
Molecular FormulaC14H10N4O7
Molecular Weight346.26 g/mol
Exact Mass346.05
IUPAC NameN-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cccc1[N+](=O)[O-]
InChIInChI=1S/C14H10N4O7/c1-8-10(3-2-4-12(8)17(22)23)14(19)15-11-6-5-9(16(20)21)7-13(11)18(24)25/h2-7H,1H3,(H,15,19)
InChIKeyMSNIYVQDOFVFMY-UHFFFAOYSA-N
XLogP2.97
TPSA158.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
N-(4-bromo-2-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 17311397
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide
CID 107745088
(2,4-dinitrophenyl)carbamic acid
CID 154114547
2-chloro-N-(2-methyl-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4633766
2-methyl-N-(2-methyl-5-methylsulfonylphenyl)-3-nitrobenzamide
CID 27990756
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706
N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
CID 103863236

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide?
The IUPAC name of N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide (CID 4674199) is N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide is Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cccc1[N+](=O)[O-].
What is the InChIKey of N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide?
The InChIKey is MSNIYVQDOFVFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O7/c1-8-10(3-2-4-12(8)17(22)23)14(19)15-11-6-5-9(16(20)21)7-13(11)18(24)25/h2-7H,1H3,(H,15,19).
What are the key properties of N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide?
N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide has a molecular weight of 346.26 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 4674199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).