2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide

C16H16N4O5 — CID 43012608

IUPAC2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide
SMILESCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N4O5/c1-10-4-5-11(8-15(10)20(24)25)17-16(21)13-9-12(19(22)23)6-7-14(13)18(2)3/h4-9H,1-3H3,(H,17,21)
InChIKeyRNGUNMRJSVYUCR-UHFFFAOYSA-N
MW344.33 g/mol
LogP3.13
Rot. Bonds5

About 2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide

2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide (PubChem CID 43012608) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide
PubChem CID43012608
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide
SMILESCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N4O5/c1-10-4-5-11(8-15(10)20(24)25)17-16(21)13-9-12(19(22)23)6-7-14(13)18(2)3/h4-9H,1-3H3,(H,17,21)
InChIKeyRNGUNMRJSVYUCR-UHFFFAOYSA-N
XLogP3.13
TPSA118.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide
CID 8762252
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 26521170
2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide
CID 55611030
2-(dimethylamino)-N-[4-(methylsulfamoyl)phenyl]-5-nitrobenzamide
CID 9188395
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(dimethylamino)-5-nitrobenzamide
CID 18098111
N-(4-methyl-3-nitrophenyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 39753269
N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide
CID 39677239
N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 7551785
N-[4-(dimethylamino)-3-(2-methoxyethylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide
CID 42747549
2-(dimethylamino)-5-nitro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188138
N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]-4-methyl-3-nitrobenzamide
CID 42747675
N-[4-(dimethylamino)-3-(1-phenylethylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide
CID 3948039

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide?
The IUPAC name of 2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide (CID 43012608) is 2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide?
The canonical SMILES for 2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide is Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide?
The InChIKey is RNGUNMRJSVYUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-10-4-5-11(8-15(10)20(24)25)17-16(21)13-9-12(19(22)23)6-7-14(13)18(2)3/h4-9H,1-3H3,(H,17,21).
What are the key properties of 2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide?
2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide has a molecular weight of 344.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide is sourced from PubChem (CID 43012608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).