N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide

C16H17N3O3 — CID 24531986

IUPACN-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C16H17N3O3/c1-10-6-11(2)8-12(7-10)18-16(20)14-9-13(19(21)22)4-5-15(14)17-3/h4-9,17H,1-3H3,(H,18,20)
InChIKeyGQMGRNXVDDKJEQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.51
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide

N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide (PubChem CID 24531986) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
PubChem CID24531986
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C16H17N3O3/c1-10-6-11(2)8-12(7-10)18-16(20)14-9-13(19(21)22)4-5-15(14)17-3/h4-9,17H,1-3H3,(H,18,20)
InChIKeyGQMGRNXVDDKJEQ-UHFFFAOYSA-N
XLogP3.51
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
N-(2,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16962982
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283
2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
CID 62241799
N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963040
5-chloro-N-(3,5-dimethylphenyl)-2-(methylamino)benzamide
CID 62165706
N-(3,5-dimethylphenyl)-4-nitrobenzamide
CID 2843294
2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369991
5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide
CID 62166987
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020
2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide
CID 16962880
N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 107578496

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide (CID 24531986) is N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide?
The InChIKey is GQMGRNXVDDKJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-6-11(2)8-12(7-10)18-16(20)14-9-13(19(21)22)4-5-15(14)17-3/h4-9,17H,1-3H3,(H,18,20).
What are the key properties of N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide?
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide has a molecular weight of 299.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 24531986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).