N,N-dibutyl-4-fluoro-3-nitrobenzamide

C15H21FN2O3 — CID 43244139

IUPACN,N-dibutyl-4-fluoro-3-nitrobenzamide
SMILESCCCCN(CCCC)C(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H21FN2O3/c1-3-5-9-17(10-6-4-2)15(19)12-7-8-13(16)14(11-12)18(20)21/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeySKNIFQMXAVTBJY-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.78
Rot. Bonds8

About N,N-dibutyl-4-fluoro-3-nitrobenzamide

N,N-dibutyl-4-fluoro-3-nitrobenzamide (PubChem CID 43244139) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N,N-dibutyl-4-fluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN,N-dibutyl-4-fluoro-3-nitrobenzamide
PubChem CID43244139
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN,N-dibutyl-4-fluoro-3-nitrobenzamide
SMILESCCCCN(CCCC)C(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H21FN2O3/c1-3-5-9-17(10-6-4-2)15(19)12-7-8-13(16)14(11-12)18(20)21/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeySKNIFQMXAVTBJY-UHFFFAOYSA-N
XLogP3.78
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-4-fluoro-N-methyl-3-nitrobenzamide
CID 43244068
N-butyl-3-fluoro-N-(2-hydroxyethyl)-4-nitrobenzamide
CID 62680732
4-bromo-N,N-dibutyl-3-nitrobenzamide
CID 43244140
N,N-dibutyl-4-chloro-3,5-dinitrobenzamide
CID 4634267
N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)-3-nitrobenzamide
CID 79380403
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-nitrobenzamide
CID 60659844
methyl 2-[ethyl-(4-fluoro-3-nitrobenzoyl)amino]acetate
CID 61409834
4-fluoro-3-nitro-N,N-bis(2,2,2-trifluoroethyl)benzamide
CID 58911744
N-butyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
CID 103740005
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-nitrobenzamide
CID 63693985
N-[2-(dimethylamino)ethyl]-3-fluoro-4-nitro-N-propylbenzamide
CID 62682179

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-fluoro-3-nitrobenzamide?
The IUPAC name of N,N-dibutyl-4-fluoro-3-nitrobenzamide (CID 43244139) is N,N-dibutyl-4-fluoro-3-nitrobenzamide.
What is the SMILES notation for N,N-dibutyl-4-fluoro-3-nitrobenzamide?
The canonical SMILES for N,N-dibutyl-4-fluoro-3-nitrobenzamide is CCCCN(CCCC)C(=O)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N,N-dibutyl-4-fluoro-3-nitrobenzamide?
The InChIKey is SKNIFQMXAVTBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-3-5-9-17(10-6-4-2)15(19)12-7-8-13(16)14(11-12)18(20)21/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of N,N-dibutyl-4-fluoro-3-nitrobenzamide?
N,N-dibutyl-4-fluoro-3-nitrobenzamide has a molecular weight of 296.34 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-fluoro-3-nitrobenzamide is sourced from PubChem (CID 43244139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).