5-chloro-N-ethyl-2-nitrobenzamide

C9H9ClN2O3 — CID 3463536

IUPAC5-chloro-N-ethyl-2-nitrobenzamide
SMILESCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H9ClN2O3/c1-2-11-9(13)7-5-6(10)3-4-8(7)12(14)15/h3-5H,2H2,1H3,(H,11,13)
InChIKeyZHAXSUDLGOYKQV-UHFFFAOYSA-N
MW228.63 g/mol
LogP2.00
Rot. Bonds3

About 5-chloro-N-ethyl-2-nitrobenzamide

5-chloro-N-ethyl-2-nitrobenzamide (PubChem CID 3463536) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-nitrobenzamide
PubChem CID3463536
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name5-chloro-N-ethyl-2-nitrobenzamide
SMILESCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H9ClN2O3/c1-2-11-9(13)7-5-6(10)3-4-8(7)12(14)15/h3-5H,2H2,1H3,(H,11,13)
InChIKeyZHAXSUDLGOYKQV-UHFFFAOYSA-N
XLogP2.00
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.00
H-Bond Donors ≤ 51
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

5-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide
CID 55101050
5-chloro-N-decyl-2-nitrobenzamide
CID 4113586
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 65107531
5-chloro-N-(3-chloropentyl)-2-nitrobenzamide
CID 113497920
5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide
CID 62641303
5-chloro-N-(3-chlorobutyl)-2-nitrobenzamide
CID 113272743
N-acetyl-5-chloro-2-nitrobenzamide
CID 61216177
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-nitrobenzamide
CID 60629816
5-chloro-2-nitro-N-(2,2,3-trimethylbutyl)benzamide
CID 102610522
tert-butyl 2-[(5-chloro-2-nitrobenzoyl)amino]acetate
CID 142847428
4-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-nitrobenzamide
CID 9224325
N'-acetyl-5-chloro-2-nitrobenzohydrazide
CID 60631017

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-ethyl-2-nitrobenzamide (CID 3463536) is 5-chloro-N-ethyl-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-ethyl-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-ethyl-2-nitrobenzamide is CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-ethyl-2-nitrobenzamide?
The InChIKey is ZHAXSUDLGOYKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c1-2-11-9(13)7-5-6(10)3-4-8(7)12(14)15/h3-5H,2H2,1H3,(H,11,13).
What are the key properties of 5-chloro-N-ethyl-2-nitrobenzamide?
5-chloro-N-ethyl-2-nitrobenzamide has a molecular weight of 228.63 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-nitrobenzamide is sourced from PubChem (CID 3463536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).