N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide

C13H18FN3O3 — CID 43215642

IUPACN-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H18FN3O3/c1-3-16(4-2)8-7-15-13(18)10-5-6-11(14)12(9-10)17(19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKeyIZXFMXCPPRLLSG-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.81
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide

N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide (PubChem CID 43215642) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide
PubChem CID43215642
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H18FN3O3/c1-3-16(4-2)8-7-15-13(18)10-5-6-11(14)12(9-10)17(19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)
InChIKeyIZXFMXCPPRLLSG-UHFFFAOYSA-N
XLogP1.81
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
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

3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide
CID 62682092
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide
CID 107019684
4-[(4-fluoro-3-nitrobenzoyl)amino]-2-hydroxybutanoic acid
CID 107831774
4-fluoro-3-nitro-N-[(E)-pent-3-enyl]benzamide
CID 115628138
N-[2-[ethyl(hydroxymethyl)amino]ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitrobenzamide
CID 139441213
N-[3-(diethylamino)propyl]-3-methyl-4-nitrobenzamide
CID 2163235
N-(cyanomethyl)-4-fluoro-3-nitrobenzamide
CID 61249673
methyl 2-[ethyl-(4-fluoro-3-nitrobenzoyl)amino]acetate
CID 61409834
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide
CID 60747545
4-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-3-nitrobenzamide
CID 113293753
N-[2-(dimethylamino)ethyl]-4-methyl-3-nitrobenzamide
CID 878179

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide (CID 43215642) is N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide is CCN(CC)CCNC(=O)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide?
The InChIKey is IZXFMXCPPRLLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-3-16(4-2)8-7-15-13(18)10-5-6-11(14)12(9-10)17(19)20/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide?
N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide has a molecular weight of 283.30 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide is sourced from PubChem (CID 43215642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).