2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide

C19H17N3O3 — CID 8762252

IUPAC2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H17N3O3/c1-21(2)18-10-9-16(22(24)25)12-17(18)19(23)20-15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,20,23)
InChIKeyPKNNEKMCGILPTR-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.07
Rot. Bonds4

About 2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide

2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide (PubChem CID 8762252) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide
PubChem CID8762252
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide
SMILESCN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H17N3O3/c1-21(2)18-10-9-16(22(24)25)12-17(18)19(23)20-15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,20,23)
InChIKeyPKNNEKMCGILPTR-UHFFFAOYSA-N
XLogP4.07
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid
CID 679720
2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide
CID 43012608
N-naphthalen-2-yl-2,4-dinitrobenzamide
CID 3090080
N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 7551785
2-chloro-4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]benzamide
CID 55611030
N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide
CID 39677239
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-naphthalen-2-yl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 9068527
2-(dimethylamino)-5-nitro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188138
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 26521170
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(dimethylamino)-5-nitrobenzamide
CID 18292837

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide?
The IUPAC name of 2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide (CID 8762252) is 2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide.
What is the SMILES notation for 2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide?
The canonical SMILES for 2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide is CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide?
The InChIKey is PKNNEKMCGILPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-21(2)18-10-9-16(22(24)25)12-17(18)19(23)20-15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,20,23).
What are the key properties of 2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide?
2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide has a molecular weight of 335.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide is sourced from PubChem (CID 8762252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).