N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide

C16H17N3O3 — CID 84577418

IUPACN-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide
SMILESCc1cc(C(=O)Nc2cccc(N(C)C)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O3/c1-11-9-12(7-8-15(11)19(21)22)16(20)17-13-5-4-6-14(10-13)18(2)3/h4-10H,1-3H3,(H,17,20)
InChIKeyDZYMELBDGUQYQX-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.22
Rot. Bonds4

About N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide

N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide (PubChem CID 84577418) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide
PubChem CID84577418
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide
SMILESCc1cc(C(=O)Nc2cccc(N(C)C)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H17N3O3/c1-11-9-12(7-8-15(11)19(21)22)16(20)17-13-5-4-6-14(10-13)18(2)3/h4-10H,1-3H3,(H,17,20)
InChIKeyDZYMELBDGUQYQX-UHFFFAOYSA-N
XLogP3.22
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide
CID 22057965
4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-nitrobenzamide
CID 126154265
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997
5-[(3-methyl-4-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 7278870
methyl 4-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 5080605
3-methyl-4-nitro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035359
N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide
CID 4065155
4-bromo-N-(3-methylphenyl)-3-nitrobenzamide
CID 8713916
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
1-(3-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]urea
CID 5201297
N-(3-iodophenyl)-4-methyl-3-nitrobenzamide
CID 18076816
N-[3-(1-hydroxyethyl)phenyl]-4-methyl-3-nitrobenzamide
CID 4099768

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide (CID 84577418) is N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide is Cc1cc(C(=O)Nc2cccc(N(C)C)c2)ccc1[N+](=O)[O-].
What is the InChIKey of N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide?
The InChIKey is DZYMELBDGUQYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-9-12(7-8-15(11)19(21)22)16(20)17-13-5-4-6-14(10-13)18(2)3/h4-10H,1-3H3,(H,17,20).
What are the key properties of N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide?
N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide has a molecular weight of 299.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 84577418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).