4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide

C19H23N3O4 — CID 78855712

IUPAC4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide
SMILESCCCCN(CCO)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O4/c1-2-3-11-21(12-13-23)19(24)15-9-10-17(18(14-15)22(25)26)20-16-7-5-4-6-8-16/h4-10,14,20,23H,2-3,11-13H2,1H3
InChIKeyWIUXYKXGWFNZNL-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.57
Rot. Bonds9

About 4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide

4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide (PubChem CID 78855712) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide
PubChem CID78855712
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide
SMILESCCCCN(CCO)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O4/c1-2-3-11-21(12-13-23)19(24)15-9-10-17(18(14-15)22(25)26)20-16-7-5-4-6-8-16/h4-10,14,20,23H,2-3,11-13H2,1H3
InChIKeyWIUXYKXGWFNZNL-UHFFFAOYSA-N
XLogP3.57
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-butyl-3-fluoro-N-(2-hydroxyethyl)-4-nitrobenzamide
CID 62680732
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 62236416
4-anilino-3-nitrobenzoic acid
CID 3824366
N,N-dibutyl-4-fluoro-3-nitrobenzamide
CID 43244139
4-bromo-N,N-dibutyl-3-nitrobenzamide
CID 43244140
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
N,N-dibutyl-4-chloro-3,5-dinitrobenzamide
CID 4634267
4-anilino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-nitrobenzamide
CID 55720906
4-anilino-N-ethoxy-3-nitrobenzamide
CID 18169038
4-(cyclopropylamino)-N-ethyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 78855043
4-[4-(2-hydroxyethyl)anilino]-N,N-dimethyl-3-nitrobenzamide
CID 141052734
N-(2-hydroxyethyl)-3-methyl-4-nitro-N-propylbenzamide
CID 60656043

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide?
The IUPAC name of 4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide (CID 78855712) is 4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide.
What is the SMILES notation for 4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide?
The canonical SMILES for 4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide is CCCCN(CCO)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide?
The InChIKey is WIUXYKXGWFNZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-2-3-11-21(12-13-23)19(24)15-9-10-17(18(14-15)22(25)26)20-16-7-5-4-6-8-16/h4-10,14,20,23H,2-3,11-13H2,1H3.
What are the key properties of 4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide?
4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide has a molecular weight of 357.41 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzamide is sourced from PubChem (CID 78855712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).