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

C15H15N3O3 — CID 870378

IUPACN-[4-(dimethylamino)phenyl]-3-nitrobenzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H15N3O3/c1-17(2)13-8-6-12(7-9-13)16-15(19)11-4-3-5-14(10-11)18(20)21/h3-10H,1-2H3,(H,16,19)
InChIKeyXNTRXTZOHVNRBN-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.91
Rot. Bonds4

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

N-[4-(dimethylamino)phenyl]-3-nitrobenzamide (PubChem CID 870378) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-nitrobenzamide
PubChem CID870378
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[4-(dimethylamino)phenyl]-3-nitrobenzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H15N3O3/c1-17(2)13-8-6-12(7-9-13)16-15(19)11-4-3-5-14(10-11)18(20)21/h3-10H,1-2H3,(H,16,19)
InChIKeyXNTRXTZOHVNRBN-UHFFFAOYSA-N
XLogP2.91
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.91
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

3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
3-nitro-N-(4-propylphenyl)benzamide
CID 8803025
3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 709324
4-[(3-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 13315406
N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide
CID 155555398
2-chloro-N-[4-(dimethylamino)phenyl]-5-nitrobenzamide
CID 874261
N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzamide
CID 9093681
4-chloro-N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 874387
N-[4-(2-bromoethyl)phenyl]-3-nitrobenzamide
CID 114310201
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-nitrobenzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-nitrobenzamide (CID 870378) is N-[4-(dimethylamino)phenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-nitrobenzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-nitrobenzamide is CN(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-nitrobenzamide?
The InChIKey is XNTRXTZOHVNRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17(2)13-8-6-12(7-9-13)16-15(19)11-4-3-5-14(10-11)18(20)21/h3-10H,1-2H3,(H,16,19).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-nitrobenzamide?
N-[4-(dimethylamino)phenyl]-3-nitrobenzamide has a molecular weight of 285.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 870378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).